N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H19N3O3S2 — CID 9259749

IUPACN-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c19-10-7-14-3-5-16(6-4-14)20-18(22)15-8-11-21(12-9-15)26(23,24)17-2-1-13-25-17/h1-6,13,15H,7-9,11-12H2,(H,20,22)
InChIKeyIIURXWLNQDNCCM-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.85
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 9259749) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID9259749
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c19-10-7-14-3-5-16(6-4-14)20-18(22)15-8-11-21(12-9-15)26(23,24)17-2-1-13-25-17/h1-6,13,15H,7-9,11-12H2,(H,20,22)
InChIKeyIIURXWLNQDNCCM-UHFFFAOYSA-N
XLogP2.85
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-[4-(cyanomethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894570
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26665541
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
methyl 4-cyano-3-methyl-5-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 44918934
N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187969
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 9259749) is N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is N#CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IIURXWLNQDNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c19-10-7-14-3-5-16(6-4-14)20-18(22)15-8-11-21(12-9-15)26(23,24)17-2-1-13-25-17/h1-6,13,15H,7-9,11-12H2,(H,20,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 9259749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).