2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide

C20H29N3O3S2 — CID 16933011

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H29N3O3S2/c1-22-9-11-23(12-10-22)20(18-7-13-27-16-18)15-21-28(24,25)14-8-17-3-5-19(26-2)6-4-17/h3-7,13,16,20-21H,8-12,14-15H2,1-2H3
InChIKeyVUFWTJIOAHYBAP-UHFFFAOYSA-N
MW423.60 g/mol
LogP2.21
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide (PubChem CID 16933011) has the molecular formula C20H29N3O3S2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide
PubChem CID16933011
Molecular FormulaC20H29N3O3S2
Molecular Weight423.60 g/mol
Exact Mass423.17
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H29N3O3S2/c1-22-9-11-23(12-10-22)20(18-7-13-27-16-18)15-21-28(24,25)14-8-17-3-5-19(26-2)6-4-17/h3-7,13,16,20-21H,8-12,14-15H2,1-2H3
InChIKeyVUFWTJIOAHYBAP-UHFFFAOYSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide 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 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide (CID 16933011) is 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide?
The InChIKey is VUFWTJIOAHYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S2/c1-22-9-11-23(12-10-22)20(18-7-13-27-16-18)15-21-28(24,25)14-8-17-3-5-19(26-2)6-4-17/h3-7,13,16,20-21H,8-12,14-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide has a molecular weight of 423.60 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]ethanesulfonamide is sourced from PubChem (CID 16933011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).