1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C21H25ClN4O4S — CID 55938622

IUPAC1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H25ClN4O4S/c1-15(25-31(29,30)19-6-4-18(22)5-7-19)21(28)26-11-8-17(9-12-26)20(27)24-14-16-3-2-10-23-13-16/h2-7,10,13,15,17,25H,8-9,11-12,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyTVVWWEBGRBZDTF-HNNXBMFYSA-N
MW464.98 g/mol
LogP1.96
Rot. Bonds7

About 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 55938622) has the molecular formula C21H25ClN4O4S and a molecular weight of 464.98 g/mol. Its IUPAC name is 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID55938622
Molecular FormulaC21H25ClN4O4S
Molecular Weight464.98 g/mol
Exact Mass464.13
IUPAC Name1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H25ClN4O4S/c1-15(25-31(29,30)19-6-4-18(22)5-7-19)21(28)26-11-8-17(9-12-26)20(27)24-14-16-3-2-10-23-13-16/h2-7,10,13,15,17,25H,8-9,11-12,14H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyTVVWWEBGRBZDTF-HNNXBMFYSA-N
XLogP1.96
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-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

1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 36941048
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
(2S)-1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40634690
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119519000
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 55938622) is 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is TVVWWEBGRBZDTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S/c1-15(25-31(29,30)19-6-4-18(22)5-7-19)21(28)26-11-8-17(9-12-26)20(27)24-14-16-3-2-10-23-13-16/h2-7,10,13,15,17,25H,8-9,11-12,14H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 464.98 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55938622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).