(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H24N2O4S2 — CID 25496180

IUPAC(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)24-23(26)18-6-4-14-25(16-18)31(27,28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyIEFGGNYTGWHWME-GOSISDBHSA-N
MW456.59 g/mol
LogP4.89
Rot. Bonds6

About (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 25496180) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID25496180
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)24-23(26)18-6-4-14-25(16-18)31(27,28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyIEFGGNYTGWHWME-GOSISDBHSA-N
XLogP4.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 25496180) is (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IEFGGNYTGWHWME-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)29-21-8-3-2-7-20(21)24-23(26)18-6-4-14-25(16-18)31(27,28)22-9-5-15-30-22/h2-3,5,7-13,15,18H,4,6,14,16H2,1H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 25496180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).