4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide

C28H23N3O3S2 — CID 4280238

IUPAC4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C28H23N3O3S2/c1-2-31(22-11-4-3-5-12-22)36(33,34)23-17-15-21(16-18-23)27(32)30-28-29-26(19-35-28)25-14-8-10-20-9-6-7-13-24(20)25/h3-19H,2H2,1H3,(H,29,30,32)
InChIKeyXSNCRYRLRYJXCR-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.43
Rot. Bonds7

About 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide

4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4280238) has the molecular formula C28H23N3O3S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4280238
Molecular FormulaC28H23N3O3S2
Molecular Weight513.64 g/mol
Exact Mass513.12
IUPAC Name4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C28H23N3O3S2/c1-2-31(22-11-4-3-5-12-22)36(33,34)23-17-15-21(16-18-23)27(32)30-28-29-26(19-35-28)25-14-8-10-20-9-6-7-13-24(20)25/h3-19H,2H2,1H3,(H,29,30,32)
InChIKeyXSNCRYRLRYJXCR-UHFFFAOYSA-N
XLogP6.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4616709
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5009412
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2374824
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2330634

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide (CID 4280238) is 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XSNCRYRLRYJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S2/c1-2-31(22-11-4-3-5-12-22)36(33,34)23-17-15-21(16-18-23)27(32)30-28-29-26(19-35-28)25-14-8-10-20-9-6-7-13-24(20)25/h3-19H,2H2,1H3,(H,29,30,32).
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 513.64 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4280238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).