2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide

C23H25N3O3S2 — CID 55434266

IUPAC2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C23H25N3O3S2/c1-15-12-20-13-19(8-9-22(20)26(15)31(3,28)29)23(27)24-11-10-17-4-6-18(7-5-17)21-14-30-16(2)25-21/h4-9,13-15H,10-12H2,1-3H3,(H,24,27)
InChIKeyUEGIPSLFHFXORM-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.80
Rot. Bonds6

About 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55434266) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55434266
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C23H25N3O3S2/c1-15-12-20-13-19(8-9-22(20)26(15)31(3,28)29)23(27)24-11-10-17-4-6-18(7-5-17)21-14-30-16(2)25-21/h4-9,13-15H,10-12H2,1-3H3,(H,24,27)
InChIKeyUEGIPSLFHFXORM-UHFFFAOYSA-N
XLogP3.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 94565333
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9211019
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43016530
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 56562587
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16568145
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide (CID 55434266) is 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)cc2)cs1.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is UEGIPSLFHFXORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-15-12-20-13-19(8-9-22(20)26(15)31(3,28)29)23(27)24-11-10-17-4-6-18(7-5-17)21-14-30-16(2)25-21/h4-9,13-15H,10-12H2,1-3H3,(H,24,27).
What are the key properties of 2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 3.80, 6 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-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).