6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane

C103H122N16O17S5 — CID 159832886

IUPAC6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane
SMILESC.C.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CCCCC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCc5ccccc5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4cncc(C(=O)N5CCOCC5)c4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C34H41N5O5S2.C34H35N5O5S2.C33H38N6O7S.2CH4/c2*1-34(2,3)24-17-26(30(44-4)27(18-24)39-46(5,42)43)38-33(41)28-16-22-12-9-13-25(31(22)45-28)37-32(40)23-14-15-29(36-20-23)35-19-21-10-7-6-8-11-21;1-33(2,3)23-16-25(29(45-5)26(17-23)37-47(6,43)44)36-31(41)27-15-20-8-7-9-24(28(20)38(27)4)35-30(40)21-14-22(19-34-18-21)32(42)39-10-12-46-13-11-39;;/h9,12-18,20-21,39H,6-8,10-11,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);6-18,20,39H,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);7-9,14-19,37H,10-13H2,1-6H3,(H,35,40)(H,36,41);2*1H4
InChIKeyNNRKEOJQHSKYFL-UHFFFAOYSA-N
MW2016.54 g/mol
LogP20.06
Rot. Bonds28

About 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane

6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane (PubChem CID 159832886) has the molecular formula C103H122N16O17S5 and a molecular weight of 2016.54 g/mol. Its IUPAC name is 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane.

Molecular Properties

Compound Name6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane
PubChem CID159832886
Molecular FormulaC103H122N16O17S5
Molecular Weight2016.54 g/mol
Exact Mass2014.78
IUPAC Name6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane
SMILESC.C.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CCCCC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCc5ccccc5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4cncc(C(=O)N5CCOCC5)c4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C34H41N5O5S2.C34H35N5O5S2.C33H38N6O7S.2CH4/c2*1-34(2,3)24-17-26(30(44-4)27(18-24)39-46(5,42)43)38-33(41)28-16-22-12-9-13-25(31(22)45-28)37-32(40)23-14-15-29(36-20-23)35-19-21-10-7-6-8-11-21;1-33(2,3)23-16-25(29(45-5)26(17-23)37-47(6,43)44)36-31(41)27-15-20-8-7-9-24(28(20)38(27)4)35-30(40)21-14-22(19-34-18-21)32(42)39-10-12-46-13-11-39;;/h9,12-18,20-21,39H,6-8,10-11,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);6-18,20,39H,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);7-9,14-19,37H,10-13H2,1-6H3,(H,35,40)(H,36,41);2*1H4
InChIKeyNNRKEOJQHSKYFL-UHFFFAOYSA-N
XLogP20.06
TPSA438.00 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.54
LogP ≤ 520.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane with MolForge

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Related Compounds

N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane
CID 158294938
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(3-hydroxypiperidine-1-carbonyl)-1-methylindole-2-carboxamide
CID 58608287
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(4-carbamoylpiperazine-1-carbonyl)-1-methylindole-2-carboxamide
CID 58608249
N-[2-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxamide;ethane
CID 142819788
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dimethylcarbamoylamino)-1-benzothiophene-2-carboxamide
CID 10414278
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(1-methylazetidine-2-carbonyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190370
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dihydroxyamino)-1-methylindole-2-carboxamide
CID 89175219
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxamide
CID 58608283
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-ethenyl-1-methylindole-2-carboxamide
CID 89220307
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-[(3S)-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 58493941
7-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide;tert-butyl 4-[4-[[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[(4-piperazin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxamide;methane;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid
CID 160635633
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190417

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane?
The IUPAC name of 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane (CID 159832886) is 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane.
What is the SMILES notation for 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane?
The canonical SMILES for 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane is C.C.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CCCCC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCc5ccccc5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4cncc(C(=O)N5CCOCC5)c4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane?
The InChIKey is NNRKEOJQHSKYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O5S2.C34H35N5O5S2.C33H38N6O7S.2CH4/c2*1-34(2,3)24-17-26(30(44-4)27(18-24)39-46(5,42)43)38-33(41)28-16-22-12-9-13-25(31(22)45-28)37-32(40)23-14-15-29(36-20-23)35-19-21-10-7-6-8-11-21;1-33(2,3)23-16-25(29(45-5)26(17-23)37-47(6,43)44)36-31(41)27-15-20-8-7-9-24(28(20)38(27)4)35-30(40)21-14-22(19-34-18-21)32(42)39-10-12-46-13-11-39;;/h9,12-18,20-21,39H,6-8,10-11,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);6-18,20,39H,19H2,1-5H3,(H,35,36)(H,37,40)(H,38,41);7-9,14-19,37H,10-13H2,1-6H3,(H,35,40)(H,36,41);2*1H4.
What are the key properties of 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane?
6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane has a molecular weight of 2016.54 g/mol, XLogP of 20.06, 28 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane is sourced from PubChem (CID 159832886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).