N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

C26H26ClN3O4S — CID 133189444

IUPACN-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClN3O4S/c27-21-12-14-22(15-13-21)35(33,34)30-16-6-9-20(18-30)25(31)29-24-11-5-4-10-23(24)26(32)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-15,20H,6,9,16-18H2,(H,28,32)(H,29,31)
InChIKeyLOZUWZZATFJUCV-UHFFFAOYSA-N
MW512.03 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 133189444) has the molecular formula C26H26ClN3O4S and a molecular weight of 512.03 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID133189444
Molecular FormulaC26H26ClN3O4S
Molecular Weight512.03 g/mol
Exact Mass511.13
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClN3O4S/c27-21-12-14-22(15-13-21)35(33,34)30-16-6-9-20(18-30)25(31)29-24-11-5-4-10-23(24)26(32)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-15,20H,6,9,16-18H2,(H,28,32)(H,29,31)
InChIKeyLOZUWZZATFJUCV-UHFFFAOYSA-N
XLogP4.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.03
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189446
1-(4-chlorophenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 24622856
(3S)-N-[2-(benzylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 98055232
N-(2-acetylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 42936626
1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189442
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 100674955
ethyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074517
ethyl 2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074512
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
(3S)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073677

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (CID 133189444) is N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is LOZUWZZATFJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4S/c27-21-12-14-22(15-13-21)35(33,34)30-16-6-9-20(18-30)25(31)29-24-11-5-4-10-23(24)26(32)28-17-19-7-2-1-3-8-19/h1-5,7-8,10-15,20H,6,9,16-18H2,(H,28,32)(H,29,31).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 512.03 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133189444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).