2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

C25H22N2O3S2 — CID 167827153

IUPAC2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O3S2/c1-2-18-12-14-19(15-13-18)23-16-31-25(26-23)27-24(28)22-11-7-6-8-20(22)17-32(29,30)21-9-4-3-5-10-21/h3-16H,2,17H2,1H3,(H,26,27,28)
InChIKeyAGZPSPRBTTYATM-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.60
Rot. Bonds7

About 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 167827153) has the molecular formula C25H22N2O3S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID167827153
Molecular FormulaC25H22N2O3S2
Molecular Weight462.60 g/mol
Exact Mass462.11
IUPAC Name2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O3S2/c1-2-18-12-14-19(15-13-18)23-16-31-25(26-23)27-24(28)22-11-7-6-8-20(22)17-32(29,30)21-9-4-3-5-10-21/h3-16H,2,17H2,1H3,(H,26,27,28)
InChIKeyAGZPSPRBTTYATM-UHFFFAOYSA-N
XLogP5.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 167827153) is 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is CCc1ccc(-c2csc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AGZPSPRBTTYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S2/c1-2-18-12-14-19(15-13-18)23-16-31-25(26-23)27-24(28)22-11-7-6-8-20(22)17-32(29,30)21-9-4-3-5-10-21/h3-16H,2,17H2,1H3,(H,26,27,28).
What are the key properties of 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 462.60 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 167827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).