N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C17H19N3O4S2 — CID 46532752

IUPACN-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C17H19N3O4S2/c1-26(23,24)20-9-7-19(8-10-20)17(22)13-4-2-5-14(12-13)18-16(21)15-6-3-11-25-15/h2-6,11-12H,7-10H2,1H3,(H,18,21)
InChIKeyZNNKYVXHYIPREV-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.72
Rot. Bonds4

About N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 46532752) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID46532752
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C17H19N3O4S2/c1-26(23,24)20-9-7-19(8-10-20)17(22)13-4-2-5-14(12-13)18-16(21)15-6-3-11-25-15/h2-6,11-12H,7-10H2,1H3,(H,18,21)
InChIKeyZNNKYVXHYIPREV-UHFFFAOYSA-N
XLogP1.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
(4-methylsulfonylpiperazin-1-yl)-[3-(sulfanylamino)phenyl]methanone
CID 122659147
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 8732814
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55539770
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 46532752) is N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is CS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZNNKYVXHYIPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-26(23,24)20-9-7-19(8-10-20)17(22)13-4-2-5-14(12-13)18-16(21)15-6-3-11-25-15/h2-6,11-12H,7-10H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46532752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).