2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide

C15H17N3O3S2 — CID 42893734

IUPAC2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-6-12-7-11(4-5-13(12)18(9)23(3,20)21)14(19)17-15-16-8-10(2)22-15/h4-5,7-9H,6H2,1-3H3,(H,16,17,19)
InChIKeyOTIOZMMVWUEWCN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 42893734) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID42893734
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-6-12-7-11(4-5-13(12)18(9)23(3,20)21)14(19)17-15-16-8-10(2)22-15/h4-5,7-9H,6H2,1-3H3,(H,16,17,19)
InChIKeyOTIOZMMVWUEWCN-UHFFFAOYSA-N
XLogP2.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
4-(dimethylamino)-N-(thiazol-2-yl)benzamide
CID 2463677
4-butyrylamino-N-thiazol-2-ylbenzamide
CID 883547
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042
4-(2-Cyclopentyl-acetylamino)-n-thiazol-2-yl-benzamide
CID 11290412
4-(3,3-dimethylbutyrylamino)-N-(5-methylthiazol-2-yl)benzamide
CID 11313542
4-(3,3-Dimethyl-butyrylamino)-3-methyl-n-thiazol-2-yl-benzamide
CID 11313543
4-(3,3-dimethylbutyrylamino)-N-thiazol-2-yl-benzamide
CID 11771503
4-(3-methylbutylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 118728359
4-Isobutyrylamino-N-thiazol-2-yl-benzamide
CID 847241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide (CID 42893734) is 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide is Cc1cnc(NC(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)s1.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is OTIOZMMVWUEWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-6-12-7-11(4-5-13(12)18(9)23(3,20)21)14(19)17-15-16-8-10(2)22-15/h4-5,7-9H,6H2,1-3H3,(H,16,17,19).
What are the key properties of 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 42893734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).