N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C22H27ClN2O4S — CID 55583558

IUPACN-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-3-21(16-6-4-8-18(23)14-16)24-22(26)17-7-5-13-25(15-17)30(27,28)20-11-9-19(29-2)10-12-20/h4,6,8-12,14,17,21H,3,5,7,13,15H2,1-2H3,(H,24,26)
InChIKeyZKWDWOIETCLLGL-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.02
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 55583558) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID55583558
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-3-21(16-6-4-8-18(23)14-16)24-22(26)17-7-5-13-25(15-17)30(27,28)20-11-9-19(29-2)10-12-20/h4,6,8-12,14,17,21H,3,5,7,13,15H2,1-2H3,(H,24,26)
InChIKeyZKWDWOIETCLLGL-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125057960
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine-3-carboxamide
CID 125058830
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100674518
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 100676462
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 125075665
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659950
(3R)-1-(benzenesulfonyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659942
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 55583558) is N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is CCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZKWDWOIETCLLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-3-21(16-6-4-8-18(23)14-16)24-22(26)17-7-5-13-25(15-17)30(27,28)20-11-9-19(29-2)10-12-20/h4,6,8-12,14,17,21H,3,5,7,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55583558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).