N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H23N3O4S2 — CID 16831911

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-13-14(2)28-20(18(13)12-21)22-19(24)15-8-10-23(11-9-15)29(25,26)17-6-4-16(27-3)5-7-17/h4-7,15H,8-11H2,1-3H3,(H,22,24)
InChIKeyRONXDYKEQHCMBQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.28
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16831911) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16831911
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-13-14(2)28-20(18(13)12-21)22-19(24)15-8-10-23(11-9-15)29(25,26)17-6-4-16(27-3)5-7-17/h4-7,15H,8-11H2,1-3H3,(H,22,24)
InChIKeyRONXDYKEQHCMBQ-UHFFFAOYSA-N
XLogP3.28
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 18589778
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336646
methyl 4-cyano-3-methyl-5-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 44918934
methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55414969
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
CID 16831919
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831825
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxybenzenesulfonamide
CID 45147330
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 16831911) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)cc1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RONXDYKEQHCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-13-14(2)28-20(18(13)12-21)22-19(24)15-8-10-23(11-9-15)29(25,26)17-6-4-16(27-3)5-7-17/h4-7,15H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).