N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C16H14N2O4S2 — CID 20936238

IUPACN-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1
InChIInChI=1S/C16H14N2O4S2/c1-10-8-14(22-17-10)15-6-7-16(23-15)24(20,21)18-13-5-3-4-12(9-13)11(2)19/h3-9,18H,1-2H3
InChIKeyYMQPEWCAKBIUCC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.71
Rot. Bonds5

About N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936238) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936238
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC NameN-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1
InChIInChI=1S/C16H14N2O4S2/c1-10-8-14(22-17-10)15-6-7-16(23-15)24(20,21)18-13-5-3-4-12(9-13)11(2)19/h3-9,18H,1-2H3
InChIKeyYMQPEWCAKBIUCC-UHFFFAOYSA-N
XLogP3.71
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936238) is N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is YMQPEWCAKBIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-10-8-14(22-17-10)15-6-7-16(23-15)24(20,21)18-13-5-3-4-12(9-13)11(2)19/h3-9,18H,1-2H3.
What are the key properties of N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 362.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).