(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H28N4O3S2 — CID 41077210

IUPAC(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H28N4O3S2/c1-17-21(18(2)27(25-17)15-19-8-4-3-5-9-19)14-24-23(28)20-10-6-12-26(16-20)32(29,30)22-11-7-13-31-22/h3-5,7-9,11,13,20H,6,10,12,14-16H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyDWODQWMLEFHHNW-HXUWFJFHSA-N
MW472.64 g/mol
LogP3.33
Rot. Bonds7

About (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 41077210) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID41077210
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC Name(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H28N4O3S2/c1-17-21(18(2)27(25-17)15-19-8-4-3-5-9-19)14-24-23(28)20-10-6-12-26(16-20)32(29,30)22-11-7-13-31-22/h3-5,7-9,11,13,20H,6,10,12,14-16H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyDWODQWMLEFHHNW-HXUWFJFHSA-N
XLogP3.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40953010
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 17432528
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 35615339
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885844
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
(3R)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 34583956
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
1-thiophen-2-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133210632

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 41077210) is (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DWODQWMLEFHHNW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-17-21(18(2)27(25-17)15-19-8-4-3-5-9-19)14-24-23(28)20-10-6-12-26(16-20)32(29,30)22-11-7-13-31-22/h3-5,7-9,11,13,20H,6,10,12,14-16H2,1-2H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 472.64 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41077210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).