N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H29ClN2O3S — CID 24613397

IUPACN-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O3S/c1-4-21(18-6-8-20(24)9-7-18)25-23(27)19-11-13-26(14-12-19)30(28,29)22-10-5-16(2)15-17(22)3/h5-10,15,19,21H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyBSHXSIWWCPHLJM-UHFFFAOYSA-N
MW449.02 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24613397) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24613397
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC NameN-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O3S/c1-4-21(18-6-8-20(24)9-7-18)25-23(27)19-11-13-26(14-12-19)30(28,29)22-10-5-16(2)15-17(22)3/h5-10,15,19,21H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyBSHXSIWWCPHLJM-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55501636
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94015750
N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119665925
N-[1-(2,5-difluorophenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46591322
N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 42940269
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 24613397) is N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BSHXSIWWCPHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3S/c1-4-21(18-6-8-20(24)9-7-18)25-23(27)19-11-13-26(14-12-19)30(28,29)22-10-5-16(2)15-17(22)3/h5-10,15,19,21H,4,11-14H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 449.02 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24613397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).