1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide

C19H24N2O3S2 — CID 113006158

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-3-17-7-8-18(25-17)26(23,24)21-11-9-15(10-12-21)19(22)20-16-6-4-5-14(2)13-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,20,22)
InChIKeyXCIGKVACKDZAMN-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide

1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 113006158) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID113006158
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-3-17-7-8-18(25-17)26(23,24)21-11-9-15(10-12-21)19(22)20-16-6-4-5-14(2)13-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,20,22)
InChIKeyXCIGKVACKDZAMN-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 86861131
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide (CID 113006158) is 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide is CCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is XCIGKVACKDZAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-3-17-7-8-18(25-17)26(23,24)21-11-9-15(10-12-21)19(22)20-16-6-4-5-14(2)13-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,20,22).
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).