N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C20H20N2O4S — CID 20936379

IUPACN-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H20N2O4S/c1-4-15-8-9-17(19-10-13(2)21-26-19)12-20(15)27(24,25)22-18-7-5-6-16(11-18)14(3)23/h5-12,22H,4H2,1-3H3
InChIKeyCQDBNVIGICQOLY-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.22
Rot. Bonds6

About N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936379) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20936379
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H20N2O4S/c1-4-15-8-9-17(19-10-13(2)21-26-19)12-20(15)27(24,25)22-18-7-5-6-16(11-18)14(3)23/h5-12,22H,4H2,1-3H3
InChIKeyCQDBNVIGICQOLY-UHFFFAOYSA-N
XLogP4.22
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 20936416
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 46336603
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936427
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396262
(3-acetylphenyl)sulfamic acid
CID 12629151
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936379) is N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is CQDBNVIGICQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-4-15-8-9-17(19-10-13(2)21-26-19)12-20(15)27(24,25)22-18-7-5-6-16(11-18)14(3)23/h5-12,22H,4H2,1-3H3.
What are the key properties of N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).