N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

C16H19N3O3S2 — CID 1094288

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20)
InChIKeyZWBYFTQYYMSLLH-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.94
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (PubChem CID 1094288) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
PubChem CID1094288
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20)
InChIKeyZWBYFTQYYMSLLH-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
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
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (CID 1094288) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is ZWBYFTQYYMSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3,(H,17,20).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1094288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).