N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide

C20H27N3O4S — CID 46344548

IUPACN-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)NC1CC1
InChIInChI=1S/C20H27N3O4S/c1-2-19(24)23-17-9-8-16(28(26,27)22-10-4-3-5-11-22)12-14(17)13-18(23)20(25)21-15-6-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,21,25)
InChIKeyRHJJLNBHXJYMGO-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.81
Rot. Bonds5

About N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 46344548) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID46344548
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)NC1CC1
InChIInChI=1S/C20H27N3O4S/c1-2-19(24)23-17-9-8-16(28(26,27)22-10-4-3-5-11-22)12-14(17)13-18(23)20(25)21-15-6-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,21,25)
InChIKeyRHJJLNBHXJYMGO-UHFFFAOYSA-N
XLogP1.81
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-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-butyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 46344563
(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 92725524
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 92725537
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064
1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956438
(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710579
1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 20888370
(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710467
1-acetyl-N-(4-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956590
1-acetyl-N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956431
(2S)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1R)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701215
1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 46344548) is N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is RHJJLNBHXJYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-2-19(24)23-17-9-8-16(28(26,27)22-10-4-3-5-11-22)12-14(17)13-18(23)20(25)21-15-6-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 46344548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).