N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H19N3O4S2 — CID 18126504

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)sc2c1
InChIInChI=1S/C19H19N3O4S2/c1-11-8-13-9-12(4-7-16(13)22(11)28(3,24)25)18(23)21-19-20-15-6-5-14(26-2)10-17(15)27-19/h4-7,9-11H,8H2,1-3H3,(H,20,21,23)
InChIKeyPMPXJYCIEUNSKP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.27
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 18126504) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID18126504
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)sc2c1
InChIInChI=1S/C19H19N3O4S2/c1-11-8-13-9-12(4-7-16(13)22(11)28(3,24)25)18(23)21-19-20-15-6-5-14(26-2)10-17(15)27-19/h4-7,9-11H,8H2,1-3H3,(H,20,21,23)
InChIKeyPMPXJYCIEUNSKP-UHFFFAOYSA-N
XLogP3.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51233109
(2R)-2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 28539705
2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 42893734
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
(2S)-2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 25492200

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 18126504) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1ccc2nc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PMPXJYCIEUNSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-11-8-13-9-12(4-7-16(13)22(11)28(3,24)25)18(23)21-19-20-15-6-5-14(26-2)10-17(15)27-19/h4-7,9-11H,8H2,1-3H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 18126504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).