N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide

C18H18N2O4S — CID 18587995

IUPACN-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N2O4S/c1-19-17(21)15-11-12-7-3-5-9-14(12)20(15)18(22)13-8-4-6-10-16(13)25(2,23)24/h3-10,15H,11H2,1-2H3,(H,19,21)
InChIKeyOPANUAPLKQIERX-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide

N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 18587995) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID18587995
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N2O4S/c1-19-17(21)15-11-12-7-3-5-9-14(12)20(15)18(22)13-8-4-6-10-16(13)25(2,23)24/h3-10,15H,11H2,1-2H3,(H,19,21)
InChIKeyOPANUAPLKQIERX-UHFFFAOYSA-N
XLogP1.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41231276
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138051195
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide (CID 18587995) is N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is OPANUAPLKQIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-19-17(21)15-11-12-7-3-5-9-14(12)20(15)18(22)13-8-4-6-10-16(13)25(2,23)24/h3-10,15H,11H2,1-2H3,(H,19,21).
What are the key properties of N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).