N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C19H24N2O3S2 — CID 60622079

IUPACN-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14-6-9-17(10-7-14)20(3)19(22)16-5-4-12-21(13-16)26(23,24)18-11-8-15(2)25-18/h6-11,16H,4-5,12-13H2,1-3H3
InChIKeyCSDDKPFVXBGWGE-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.43
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 60622079) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID60622079
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14-6-9-17(10-7-14)20(3)19(22)16-5-4-12-21(13-16)26(23,24)18-11-8-15(2)25-18/h6-11,16H,4-5,12-13H2,1-3H3
InChIKeyCSDDKPFVXBGWGE-UHFFFAOYSA-N
XLogP3.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 75419057
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 35368613
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
N-(2-methoxyethyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-pentan-3-ylpiperidine-3-carboxamide
CID 55663936
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55661970
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
1,4-diazepan-1-yl-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119418448

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 60622079) is N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is CSDDKPFVXBGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-6-9-17(10-7-14)20(3)19(22)16-5-4-12-21(13-16)26(23,24)18-11-8-15(2)25-18/h6-11,16H,4-5,12-13H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 60622079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).