N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

C20H18N2O4S — CID 20959088

IUPACN-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C20H18N2O4S/c1-13(23)16-3-2-4-17(11-16)22-27(24,25)18-9-7-14(8-10-18)19-12-21-20(26-19)15-5-6-15/h2-4,7-12,15,22H,5-6H2,1H3
InChIKeyDNALEPQAQDYUJE-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.22
Rot. Bonds6

About N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20959088) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20959088
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C20H18N2O4S/c1-13(23)16-3-2-4-17(11-16)22-27(24,25)18-9-7-14(8-10-18)19-12-21-20(26-19)15-5-6-15/h2-4,7-12,15,22H,5-6H2,1H3
InChIKeyDNALEPQAQDYUJE-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 ≤ 500382.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20959088) is N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is DNALEPQAQDYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13(23)16-3-2-4-17(11-16)22-27(24,25)18-9-7-14(8-10-18)19-12-21-20(26-19)15-5-6-15/h2-4,7-12,15,22H,5-6H2,1H3.
What are the key properties of N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(3-acetylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 382.44 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)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20959088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).