N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H19N3O4S — CID 112988188

IUPACN-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)c1cccc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C19H19N3O4S/c1-12-19(14(3)26-21-12)27(24,25)22-17-9-7-16(8-10-17)20-18-6-4-5-15(11-18)13(2)23/h4-11,20,22H,1-3H3
InChIKeyCXYPIEHVALKOAP-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.04
Rot. Bonds6

About N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 112988188) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID112988188
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)c1cccc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C19H19N3O4S/c1-12-19(14(3)26-21-12)27(24,25)22-17-9-7-16(8-10-17)20-18-6-4-5-15(11-18)13(2)23/h4-11,20,22H,1-3H3
InChIKeyCXYPIEHVALKOAP-UHFFFAOYSA-N
XLogP4.04
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 112988188) is N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CC(=O)c1cccc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1.
What is the InChIKey of N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CXYPIEHVALKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-19(14(3)26-21-12)27(24,25)22-17-9-7-16(8-10-17)20-18-6-4-5-15(11-18)13(2)23/h4-11,20,22H,1-3H3.
What are the key properties of N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112988188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).