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

C19H18N2O3S2 — CID 7565481

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-3-13-8-10-14(11-9-13)16-12-25-19(20-16)21-18(22)15-6-4-5-7-17(15)26(2,23)24/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyRNESMYOGWQGNQE-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.03
Rot. Bonds5

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

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 7565481) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID7565481
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-3-13-8-10-14(11-9-13)16-12-25-19(20-16)21-18(22)15-6-4-5-7-17(15)26(2,23)24/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyRNESMYOGWQGNQE-UHFFFAOYSA-N
XLogP4.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 167827153
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 60585999
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide (CID 7565481) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is CCc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is RNESMYOGWQGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-13-8-10-14(11-9-13)16-12-25-19(20-16)21-18(22)15-6-4-5-7-17(15)26(2,23)24/h4-12H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 7565481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).