N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H24N2O3S2 — CID 43013553

IUPACN-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H24N2O3S2/c26-23(20-11-6-14-25(17-20)30(27,28)22-13-7-15-29-22)24-21-12-5-4-10-19(21)16-18-8-2-1-3-9-18/h1-5,7-10,12-13,15,20H,6,11,14,16-17H2,(H,24,26)
InChIKeyMAERRRMGCAZLFA-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.38
Rot. Bonds6

About N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43013553) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43013553
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H24N2O3S2/c26-23(20-11-6-14-25(17-20)30(27,28)22-13-7-15-29-22)24-21-12-5-4-10-19(21)16-18-8-2-1-3-9-18/h1-5,7-10,12-13,15,20H,6,11,14,16-17H2,(H,24,26)
InChIKeyMAERRRMGCAZLFA-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3R)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942881
(3S)-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942883
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9325562
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 43013553) is N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MAERRRMGCAZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c26-23(20-11-6-14-25(17-20)30(27,28)22-13-7-15-29-22)24-21-12-5-4-10-19(21)16-18-8-2-1-3-9-18/h1-5,7-10,12-13,15,20H,6,11,14,16-17H2,(H,24,26).
What are the key properties of N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43013553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).