N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide

C17H20ClN3O3S2 — CID 16801502

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-3-1-4-15(13-14)20-7-9-21(10-8-20)26(23,24)12-6-19-17(22)16-5-2-11-25-16/h1-5,11,13H,6-10,12H2,(H,19,22)
InChIKeyHMVCTNCYSLPDHM-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide (PubChem CID 16801502) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
PubChem CID16801502
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-3-1-4-15(13-14)20-7-9-21(10-8-20)26(23,24)12-6-19-17(22)16-5-2-11-25-16/h1-5,11,13H,6-10,12H2,(H,19,22)
InChIKeyHMVCTNCYSLPDHM-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide 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-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide (CID 16801502) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The InChIKey is HMVCTNCYSLPDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c18-14-3-1-4-15(13-14)20-7-9-21(10-8-20)26(23,24)12-6-19-17(22)16-5-2-11-25-16/h1-5,11,13H,6-10,12H2,(H,19,22).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16801502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).