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

C18H18N4O4S — CID 78808548

IUPAC2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O4S/c1-10-7-12-8-11(3-6-16(12)22(10)27(2,25)26)17(23)19-13-4-5-14-15(9-13)21-18(24)20-14/h3-6,8-10H,7H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyMBISXJGNOWSBIY-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.82
Rot. Bonds3

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

2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 78808548) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID78808548
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H18N4O4S/c1-10-7-12-8-11(3-6-16(12)22(10)27(2,25)26)17(23)19-13-4-5-14-15(9-13)21-18(24)20-14/h3-6,8-10H,7H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyMBISXJGNOWSBIY-UHFFFAOYSA-N
XLogP1.82
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-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

N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(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
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42962154
(2R)-N-(3,4-diethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42091062
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide (CID 78808548) is 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is MBISXJGNOWSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-10-7-12-8-11(3-6-16(12)22(10)27(2,25)26)17(23)19-13-4-5-14-15(9-13)21-18(24)20-14/h3-6,8-10H,7H2,1-2H3,(H,19,23)(H2,20,21,24).
What are the key properties of 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 78808548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).