4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide

C19H24ClN3O5S2 — CID 27534697

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC
InChIInChI=1S/C19H24ClN3O5S2/c1-27-15-4-3-14(13-16(15)28-2)7-8-21-19(24)22-9-11-23(12-10-22)30(25,26)18-6-5-17(20)29-18/h3-6,13H,7-12H2,1-2H3,(H,21,24)
InChIKeyIMJSCXHUNKMZLH-UHFFFAOYSA-N
MW474.00 g/mol
LogP2.68
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide

4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 27534697) has the molecular formula C19H24ClN3O5S2 and a molecular weight of 474.00 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID27534697
Molecular FormulaC19H24ClN3O5S2
Molecular Weight474.00 g/mol
Exact Mass473.08
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC
InChIInChI=1S/C19H24ClN3O5S2/c1-27-15-4-3-14(13-16(15)28-2)7-8-21-19(24)22-9-11-23(12-10-22)30(25,26)18-6-5-17(20)29-18/h3-6,13H,7-12H2,1-2H3,(H,21,24)
InChIKeyIMJSCXHUNKMZLH-UHFFFAOYSA-N
XLogP2.68
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108891805
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
CID 25498905
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 27768699
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5206655
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113109890
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
4-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)piperazine-1-carbothioamide
CID 55353568

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide (CID 27534697) is 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is IMJSCXHUNKMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S2/c1-27-15-4-3-14(13-16(15)28-2)7-8-21-19(24)22-9-11-23(12-10-22)30(25,26)18-6-5-17(20)29-18/h3-6,13H,7-12H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 474.00 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 27534697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).