N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

C16H15N3O4S2 — CID 1246995

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1
InChIInChI=1S/C16H15N3O4S2/c1-11-9-15(18-23-11)19-25(21,22)14-6-4-12(5-7-14)17-16(20)10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPJCTXVVJPWATDP-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.03
Rot. Bonds6

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1246995) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID1246995
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1
InChIInChI=1S/C16H15N3O4S2/c1-11-9-15(18-23-11)19-25(21,22)14-6-4-12(5-7-14)17-16(20)10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPJCTXVVJPWATDP-UHFFFAOYSA-N
XLogP3.03
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N(4)-acetylsulfamethoxazole
CID 65280
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 2130238
N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)propanamide
CID 706810
4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2808966
2,2,2-trifluoro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 682761
N,N'-bis{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}hexanediamide
CID 3386679
N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide
CID 3654587
N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide
CID 5169609
N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanediamide
CID 145953495
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 172433186
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 1555094

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (CID 1246995) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is PJCTXVVJPWATDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-11-9-15(18-23-11)19-25(21,22)14-6-4-12(5-7-14)17-16(20)10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 377.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1246995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).