(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide

C21H23N3O4S — CID 41428990

IUPAC(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-22-20(25)19-14-16-6-2-3-7-18(16)24(19)21(26)15-8-10-17(11-9-15)29(27,28)23-12-4-5-13-23/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyQJUDGBTZYRPHDG-LJQANCHMSA-N
MW413.50 g/mol
LogP1.79
Rot. Bonds4

About (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide

(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 41428990) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID41428990
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-22-20(25)19-14-16-6-2-3-7-18(16)24(19)21(26)15-8-10-17(11-9-15)29(27,28)23-12-4-5-13-23/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyQJUDGBTZYRPHDG-LJQANCHMSA-N
XLogP1.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
(3R)-N-methyl-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 30599334
(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41231276
(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide
CID 15858674
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide (CID 41428990) is (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is QJUDGBTZYRPHDG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-22-20(25)19-14-16-6-2-3-7-18(16)24(19)21(26)15-8-10-17(11-9-15)29(27,28)23-12-4-5-13-23/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide?
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).