(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

C27H33N3O4S — CID 99731284

IUPAC(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)C2)c1C
InChIInChI=1S/C27H33N3O4S/c1-17-6-4-8-24(19(17)3)28-26(31)21-7-5-13-29(16-21)35(33,34)23-11-12-25-22(15-23)14-18(2)30(25)27(32)20-9-10-20/h4,6,8,11-12,15,18,20-21H,5,7,9-10,13-14,16H2,1-3H3,(H,28,31)/t18-,21+/m1/s1
InChIKeyKOIQTPYJEXBTBX-NQIIRXRSSA-N
MW495.65 g/mol
LogP4.03
Rot. Bonds5

About (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 99731284) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
PubChem CID99731284
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)C2)c1C
InChIInChI=1S/C27H33N3O4S/c1-17-6-4-8-24(19(17)3)28-26(31)21-7-5-13-29(16-21)35(33,34)23-11-12-25-22(15-23)14-18(2)30(25)27(32)20-9-10-20/h4,6,8,11-12,15,18,20-21H,5,7,9-10,13-14,16H2,1-3H3,(H,28,31)/t18-,21+/m1/s1
InChIKeyKOIQTPYJEXBTBX-NQIIRXRSSA-N
XLogP4.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-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

(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 99761008
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064
cyclopropyl-[(2R)-2-methyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 99731198
cyclopropyl-[(2R)-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 124770097
(3R)-N-benzyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688098
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92688078
cyclopropyl-[5-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 20902166
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92688081
(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 92688096
(3R)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 99731247
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782
(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (CID 99731284) is (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)C2)c1C.
What is the InChIKey of (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is KOIQTPYJEXBTBX-NQIIRXRSSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-17-6-4-8-24(19(17)3)28-26(31)21-7-5-13-29(16-21)35(33,34)23-11-12-25-22(15-23)14-18(2)30(25)27(32)20-9-10-20/h4,6,8,11-12,15,18,20-21H,5,7,9-10,13-14,16H2,1-3H3,(H,28,31)/t18-,21+/m1/s1.
What are the key properties of (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 99731284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).