(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C20H25N3O4S2 — CID 31942892

IUPAC(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H25N3O4S2/c1-14(2)21-20(25)16-8-3-4-9-17(16)22-19(24)15-7-5-11-23(13-15)29(26,27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyWMZQPQPGXLORAL-HNNXBMFYSA-N
MW435.57 g/mol
LogP2.93
Rot. Bonds6

About (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 31942892) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID31942892
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H25N3O4S2/c1-14(2)21-20(25)16-8-3-4-9-17(16)22-19(24)15-7-5-11-23(13-15)29(26,27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyWMZQPQPGXLORAL-HNNXBMFYSA-N
XLogP2.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3S)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942883
(3R)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942881
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084777
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 31942892) is (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WMZQPQPGXLORAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-14(2)21-20(25)16-8-3-4-9-17(16)22-19(24)15-7-5-11-23(13-15)29(26,27)18-10-6-12-28-18/h3-4,6,8-10,12,14-15H,5,7,11,13H2,1-2H3,(H,21,25)(H,22,24)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 31942892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).