N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H24N2O3S2 — CID 46616248

IUPACN-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c26-23(20-11-7-15-24(18-20)30(27,28)22-14-8-16-29-22)25(21-12-5-2-6-13-21)17-19-9-3-1-4-10-19/h1-6,8-10,12-14,16,20H,7,11,15,17-18H2
InChIKeyNGXBGYUXURFPLN-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 46616248) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID46616248
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c26-23(20-11-7-15-24(18-20)30(27,28)22-14-8-16-29-22)25(21-12-5-2-6-13-21)17-19-9-3-1-4-10-19/h1-6,8-10,12-14,16,20H,7,11,15,17-18H2
InChIKeyNGXBGYUXURFPLN-UHFFFAOYSA-N
XLogP4.38
TPSA57.69 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43043853
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013553
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 46616248) is N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is NGXBGYUXURFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c26-23(20-11-7-15-24(18-20)30(27,28)22-14-8-16-29-22)25(21-12-5-2-6-13-21)17-19-9-3-1-4-10-19/h1-6,8-10,12-14,16,20H,7,11,15,17-18H2.
What are the key properties of N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46616248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).