N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H27N3O3S2 — CID 24633039

IUPACN-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C21H27N3O3S2/c25-21(22-19-10-12-23(16-19)14-17-6-2-1-3-7-17)18-8-4-11-24(15-18)29(26,27)20-9-5-13-28-20/h1-3,5-7,9,13,18-19H,4,8,10-12,14-16H2,(H,22,25)
InChIKeyCHDLPHJMHICZTM-UHFFFAOYSA-N
MW433.60 g/mol
LogP2.54
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 24633039) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID24633039
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C21H27N3O3S2/c25-21(22-19-10-12-23(16-19)14-17-6-2-1-3-7-17)18-8-4-11-24(15-18)29(26,27)20-9-5-13-28-20/h1-3,5-7,9,13,18-19H,4,8,10-12,14-16H2,(H,22,25)
InChIKeyCHDLPHJMHICZTM-UHFFFAOYSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013553
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616248
N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 53031675
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290
N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41312296
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 24633039) is N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CHDLPHJMHICZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c25-21(22-19-10-12-23(16-19)14-17-6-2-1-3-7-17)18-8-4-11-24(15-18)29(26,27)20-9-5-13-28-20/h1-3,5-7,9,13,18-19H,4,8,10-12,14-16H2,(H,22,25).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).