4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide

C24H25N3O2S — CID 55915258

IUPAC4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)s1
InChIInChI=1S/C24H25N3O2S/c1-18-7-12-22(30-18)24(29)27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(28)25-21-5-3-2-4-6-21/h2-12H,13-17H2,1H3,(H,25,28)
InChIKeyAWCXPRYCKRAYRC-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.27
Rot. Bonds5

About 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide

4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 55915258) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
PubChem CID55915258
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)s1
InChIInChI=1S/C24H25N3O2S/c1-18-7-12-22(30-18)24(29)27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(28)25-21-5-3-2-4-6-21/h2-12H,13-17H2,1H3,(H,25,28)
InChIKeyAWCXPRYCKRAYRC-UHFFFAOYSA-N
XLogP4.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide 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

2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 24549487
N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18157517
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
4-[3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 120549555
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide (CID 55915258) is 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide is Cc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)s1.
What is the InChIKey of 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is AWCXPRYCKRAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-18-7-12-22(30-18)24(29)27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(28)25-21-5-3-2-4-6-21/h2-12H,13-17H2,1H3,(H,25,28).
What are the key properties of 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 419.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 55915258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).