N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane

C45H48N10O9S4 — CID 158667083

IUPACN-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane
SMILESC.CC(=O)NCc1cccc(-c2csc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1.CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1
InChIInChI=1S/C23H25N5O5S2.C21H19N5O4S2.CH4/c1-15(29)24-12-16-6-4-7-17(10-16)20-14-34-23(26-20)27-21(30)13-25-22(31)18-8-5-9-19(11-18)35(32,33)28(2)3;1-26(2)32(29,30)17-8-4-7-16(10-17)20(28)23-12-19(27)25-21-24-18(13-31-21)15-6-3-5-14(9-15)11-22;/h4-11,14H,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,26,27,30);3-10,13H,12H2,1-2H3,(H,23,28)(H,24,25,27);1H4
InChIKeyIDMLAIARNKDSEM-UHFFFAOYSA-N
MW1001.21 g/mol
LogP5.00
Rot. Bonds16

About N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane

N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane (PubChem CID 158667083) has the molecular formula C45H48N10O9S4 and a molecular weight of 1001.21 g/mol. Its IUPAC name is N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane.

Molecular Properties

Compound NameN-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane
PubChem CID158667083
Molecular FormulaC45H48N10O9S4
Molecular Weight1001.21 g/mol
Exact Mass1000.25
IUPAC NameN-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane
SMILESC.CC(=O)NCc1cccc(-c2csc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1.CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1
InChIInChI=1S/C23H25N5O5S2.C21H19N5O4S2.CH4/c1-15(29)24-12-16-6-4-7-17(10-16)20-14-34-23(26-20)27-21(30)13-25-22(31)18-8-5-9-19(11-18)35(32,33)28(2)3;1-26(2)32(29,30)17-8-4-7-16(10-17)20(28)23-12-19(27)25-21-24-18(13-31-21)15-6-3-5-14(9-15)11-22;/h4-11,14H,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,26,27,30);3-10,13H,12H2,1-2H3,(H,23,28)(H,24,25,27);1H4
InChIKeyIDMLAIARNKDSEM-UHFFFAOYSA-N
XLogP5.00
TPSA269.83 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.21
LogP ≤ 55.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane with MolForge

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-(2-cyanopropan-2-yl)pyrrole-3-carboxamide
CID 154668270
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 154669291
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 9261099
3-(dimethylsulfamoyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55468913
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane?
The IUPAC name of N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane (CID 158667083) is N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane.
What is the SMILES notation for N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane?
The canonical SMILES for N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane is C.CC(=O)NCc1cccc(-c2csc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1.CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1.
What is the InChIKey of N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane?
The InChIKey is IDMLAIARNKDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S2.C21H19N5O4S2.CH4/c1-15(29)24-12-16-6-4-7-17(10-16)20-14-34-23(26-20)27-21(30)13-25-22(31)18-8-5-9-19(11-18)35(32,33)28(2)3;1-26(2)32(29,30)17-8-4-7-16(10-17)20(28)23-12-19(27)25-21-24-18(13-31-21)15-6-3-5-14(9-15)11-22;/h4-11,14H,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,26,27,30);3-10,13H,12H2,1-2H3,(H,23,28)(H,24,25,27);1H4.
What are the key properties of N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane?
N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane has a molecular weight of 1001.21 g/mol, XLogP of 5.00, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane is sourced from PubChem (CID 158667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).