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

C18H25N3O2S2 — CID 16932995

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C18H25N3O2S2/c1-20-8-10-21(11-9-20)18(17-7-12-24-14-17)13-19-25(22,23)15-16-5-3-2-4-6-16/h2-7,12,14,18-19H,8-11,13,15H2,1H3
InChIKeyZJOSUWPIGCRCHZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.16
Rot. Bonds7

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

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide (PubChem CID 16932995) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide
PubChem CID16932995
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C18H25N3O2S2/c1-20-8-10-21(11-9-20)18(17-7-12-24-14-17)13-19-25(22,23)15-16-5-3-2-4-6-16/h2-7,12,14,18-19H,8-11,13,15H2,1H3
InChIKeyZJOSUWPIGCRCHZ-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide 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-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide (CID 16932995) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide is CN1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide?
The InChIKey is ZJOSUWPIGCRCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-20-8-10-21(11-9-20)18(17-7-12-24-14-17)13-19-25(22,23)15-16-5-3-2-4-6-16/h2-7,12,14,18-19H,8-11,13,15H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide has a molecular weight of 379.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16932995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).