(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C18H22N2O4S2 — CID 30534952

IUPAC(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C18H22N2O4S2/c1-13-9-10-17(25-13)26(22,23)20-11-5-6-14(12-20)18(21)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyKDOQGKYAYHSMBF-AWEZNQCLSA-N
MW394.52 g/mol
LogP3.10
Rot. Bonds5

About (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 30534952) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID30534952
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C18H22N2O4S2/c1-13-9-10-17(25-13)26(22,23)20-11-5-6-14(12-20)18(21)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyKDOQGKYAYHSMBF-AWEZNQCLSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24643102
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 42654998
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 25492914
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 46521682
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46424838
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1456855
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55908279

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 30534952) is (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KDOQGKYAYHSMBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-13-9-10-17(25-13)26(22,23)20-11-5-6-14(12-20)18(21)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 30534952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).