N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide

C25H25N3O4S — CID 55796655

IUPACN-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C25H25N3O4S/c29-24(19-9-3-1-4-10-19)26-21-12-7-13-22(17-21)27-25(30)20-11-8-16-28(18-20)33(31,32)23-14-5-2-6-15-23/h1-7,9-10,12-15,17,20H,8,11,16,18H2,(H,26,29)(H,27,30)
InChIKeyHQBLAWISGYWWEJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.98
Rot. Bonds6

About N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide

N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide (PubChem CID 55796655) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
PubChem CID55796655
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C25H25N3O4S/c29-24(19-9-3-1-4-10-19)26-21-12-7-13-22(17-21)27-25(30)20-11-8-16-28(18-20)33(31,32)23-14-5-2-6-15-23/h1-7,9-10,12-15,17,20H,8,11,16,18H2,(H,26,29)(H,27,30)
InChIKeyHQBLAWISGYWWEJ-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 100660090
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3R)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100674657
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
(3S)-1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 38802258
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 28550024
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide (CID 55796655) is N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide is O=C(Nc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The InChIKey is HQBLAWISGYWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c29-24(19-9-3-1-4-10-19)26-21-12-7-13-22(17-21)27-25(30)20-11-8-16-28(18-20)33(31,32)23-14-5-2-6-15-23/h1-7,9-10,12-15,17,20H,8,11,16,18H2,(H,26,29)(H,27,30).
What are the key properties of N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55796655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).