N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H19N3O4S2 — CID 26665541

IUPACN-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H19N3O4S2/c18-16(21)13-3-1-4-14(11-13)19-17(22)12-6-8-20(9-7-12)26(23,24)15-5-2-10-25-15/h1-5,10-12H,6-9H2,(H2,18,21)(H,19,22)
InChIKeyNFPKLXWWAYUEHT-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.89
Rot. Bonds5

About N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26665541) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26665541
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H19N3O4S2/c18-16(21)13-3-1-4-14(11-13)19-17(22)12-6-8-20(9-7-12)26(23,24)15-5-2-10-25-15/h1-5,10-12H,6-9H2,(H2,18,21)(H,19,22)
InChIKeyNFPKLXWWAYUEHT-UHFFFAOYSA-N
XLogP1.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
ethyl 2-chloro-4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 28575511
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 26665541) is N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is NC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NFPKLXWWAYUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c18-16(21)13-3-1-4-14(11-13)19-17(22)12-6-8-20(9-7-12)26(23,24)15-5-2-10-25-15/h1-5,10-12H,6-9H2,(H2,18,21)(H,19,22).
What are the key properties of N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26665541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).