4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

C12H20N4O3S2 — CID 119448759

IUPAC4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C12H20N4O3S2/c1-13-21(18,19)10-8-11(20-9-10)12(17)15-4-7-16-5-2-14-3-6-16/h8-9,13-14H,2-7H2,1H3,(H,15,17)
InChIKeySLHUMRHUTZLZNB-UHFFFAOYSA-N
MW332.45 g/mol
LogP-0.71
Rot. Bonds6

About 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 119448759) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
PubChem CID119448759
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C12H20N4O3S2/c1-13-21(18,19)10-8-11(20-9-10)12(17)15-4-7-16-5-2-14-3-6-16/h8-9,13-14H,2-7H2,1H3,(H,15,17)
InChIKeySLHUMRHUTZLZNB-UHFFFAOYSA-N
XLogP-0.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 120888439
N-(2-amino-2-methylpropyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 119630138
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 136512530
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
CID 120994763
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (CID 119448759) is 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is CNS(=O)(=O)c1csc(C(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is SLHUMRHUTZLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-13-21(18,19)10-8-11(20-9-10)12(17)15-4-7-16-5-2-14-3-6-16/h8-9,13-14H,2-7H2,1H3,(H,15,17).
What are the key properties of 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119448759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).