N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride

C18H24ClN3O3S2 — CID 18571834

IUPACN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccs3)CC2)cc1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-15-4-6-16(7-5-15)26(23,24)21-12-10-20(11-13-21)9-8-19-18(22)17-3-2-14-25-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H
InChIKeyFZQQVHHTLUUZES-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.21
Rot. Bonds6

About N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride

N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 18571834) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID18571834
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccs3)CC2)cc1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-15-4-6-16(7-5-15)26(23,24)21-12-10-20(11-13-21)9-8-19-18(22)17-3-2-14-25-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H
InChIKeyFZQQVHHTLUUZES-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (CID 18571834) is N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccs3)CC2)cc1.Cl.
What is the InChIKey of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is FZQQVHHTLUUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-15-4-6-16(7-5-15)26(23,24)21-12-10-20(11-13-21)9-8-19-18(22)17-3-2-14-25-17;/h2-7,14H,8-13H2,1H3,(H,19,22);1H.
What are the key properties of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18571834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).