(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone

C24H21NOS — CID 10666938

IUPAC(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc[nH]3)s2)cc1
InChIInChI=1S/C24H21NOS/c1-16-5-9-18(10-6-16)23(20-4-3-15-25-20)21-13-14-22(27-21)24(26)19-11-7-17(2)8-12-19/h3-15,23,25H,1-2H3
InChIKeyZBLFTWSSAWLNAD-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.10
Rot. Bonds5

About (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone

(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone (PubChem CID 10666938) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone
PubChem CID10666938
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC Name(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc[nH]3)s2)cc1
InChIInChI=1S/C24H21NOS/c1-16-5-9-18(10-6-16)23(20-4-3-15-25-20)21-13-14-22(27-21)24(26)19-11-7-17(2)8-12-19/h3-15,23,25H,1-2H3
InChIKeyZBLFTWSSAWLNAD-UHFFFAOYSA-N
XLogP6.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone 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

5-[bis(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 141211860
[1-dimethylboranyl-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 11199842
2-trimethylsilylethyl 4-[[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-(1H-pyrrol-2-yl)methyl]benzoate
CID 10928999
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
CID 102106357
2-[(4-methylthiophen-2-yl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 122381743
2-(5-benzoylthiophen-2-yl)propanenitrile
CID 67369420
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330
2-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 172712190
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 10624502

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone?
The IUPAC name of (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone (CID 10666938) is (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone is Cc1ccc(C(=O)c2ccc(C(c3ccc(C)cc3)c3ccc[nH]3)s2)cc1.
What is the InChIKey of (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone?
The InChIKey is ZBLFTWSSAWLNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NOS/c1-16-5-9-18(10-6-16)23(20-4-3-15-25-20)21-13-14-22(27-21)24(26)19-11-7-17(2)8-12-19/h3-15,23,25H,1-2H3.
What are the key properties of (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone?
(4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[5-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 10666938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).