N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide

C21H23N3O3S — CID 17457202

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3S/c25-21(19-15-22-20-7-3-2-6-18(19)20)23-14-16-8-10-17(11-9-16)28(26,27)24-12-4-1-5-13-24/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,23,25)
InChIKeyQBVQTRRXGNKIOO-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.27
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 17457202) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
PubChem CID17457202
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3S/c25-21(19-15-22-20-7-3-2-6-18(19)20)23-14-16-8-10-17(11-9-16)28(26,27)24-12-4-1-5-13-24/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,23,25)
InChIKeyQBVQTRRXGNKIOO-UHFFFAOYSA-N
XLogP3.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-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

2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55650137
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide (CID 17457202) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is QBVQTRRXGNKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-21(19-15-22-20-7-3-2-6-18(19)20)23-14-16-8-10-17(11-9-16)28(26,27)24-12-4-1-5-13-24/h2-3,6-11,15,22H,1,4-5,12-14H2,(H,23,25).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 17457202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).