2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

C20H27N3OS — CID 16931446

IUPAC2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCc1ccc(C(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C20H27N3OS/c1-15-4-5-18(16(2)12-15)20(24)21-13-19(17-6-11-25-14-17)23-9-7-22(3)8-10-23/h4-6,11-12,14,19H,7-10,13H2,1-3H3,(H,21,24)
InChIKeyXHNAUCXPIOSGII-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.08
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931446) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931446
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCc1ccc(C(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C20H27N3OS/c1-15-4-5-18(16(2)12-15)20(24)21-13-19(17-6-11-25-14-17)23-9-7-22(3)8-10-23/h4-6,11-12,14,19H,7-10,13H2,1-3H3,(H,21,24)
InChIKeyXHNAUCXPIOSGII-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide 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

N'-(2,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932322
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605747
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
2-(2-methoxy-4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931501
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931446) is 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is Cc1ccc(C(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is XHNAUCXPIOSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-4-5-18(16(2)12-15)20(24)21-13-19(17-6-11-25-14-17)23-9-7-22(3)8-10-23/h4-6,11-12,14,19H,7-10,13H2,1-3H3,(H,21,24).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 357.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).