2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

C22H18N2O3S2 — CID 18576995

IUPAC2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H18N2O3S2/c1-2-29(26,27)20-10-6-5-9-18(20)21(25)24-22-23-19(14-28-22)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyGCZWQGMXPVCJGH-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.01
Rot. Bonds5

About 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 18576995) has the molecular formula C22H18N2O3S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID18576995
Molecular FormulaC22H18N2O3S2
Molecular Weight422.53 g/mol
Exact Mass422.08
IUPAC Name2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H18N2O3S2/c1-2-29(26,27)20-10-6-5-9-18(20)21(25)24-22-23-19(14-28-22)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyGCZWQGMXPVCJGH-UHFFFAOYSA-N
XLogP5.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 18576995) is 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GCZWQGMXPVCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S2/c1-2-29(26,27)20-10-6-5-9-18(20)21(25)24-22-23-19(14-28-22)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18576995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).