N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O3S2 — CID 16826177

IUPACN-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-8-14(2)16(11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyIVYVMADMGHQKDR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.40
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826177) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826177
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-8-14(2)16(11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyIVYVMADMGHQKDR-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826177) is N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IVYVMADMGHQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-7-8-14(2)16(11-13)19-18(21)15-5-3-9-20(12-15)25(22,23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).