5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

C16H23N3O2S3 — CID 16932960

IUPAC5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3
InChIKeyBKGXMCQEQLZTCU-UHFFFAOYSA-N
MW385.58 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 16932960) has the molecular formula C16H23N3O2S3 and a molecular weight of 385.58 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
PubChem CID16932960
Molecular FormulaC16H23N3O2S3
Molecular Weight385.58 g/mol
Exact Mass385.10
IUPAC Name5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3
InChIKeyBKGXMCQEQLZTCU-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide 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 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (CID 16932960) is 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is BKGXMCQEQLZTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 385.58 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).