N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C16H19N3O3S2 — CID 1094311

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-24(21,22)19-10-8-18(9-11-19)14-6-3-2-5-13(14)17-16(20)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20)
InChIKeyFDBJCRIYRHVYEK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 1094311) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID1094311
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-24(21,22)19-10-8-18(9-11-19)14-6-3-2-5-13(14)17-16(20)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20)
InChIKeyFDBJCRIYRHVYEK-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
CID 4845797
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095
N-(3-Fluorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1238883
Cambridge id 6662308
CID 2909105
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 1094311) is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is FDBJCRIYRHVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-24(21,22)19-10-8-18(9-11-19)14-6-3-2-5-13(14)17-16(20)15-7-4-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1094311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).