3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid

C16H13N3O6S2 — CID 6504149

IUPAC3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cs2)no1
InChIInChI=1S/C16H13N3O6S2/c1-9-5-14(18-25-9)17-15(20)13-7-12(8-26-13)27(23,24)19-11-4-2-3-10(6-11)16(21)22/h2-8,19H,1H3,(H,21,22)(H,17,18,20)
InChIKeyRCIMXHKYTZEFFX-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.80
Rot. Bonds6

About 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid

3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid (PubChem CID 6504149) has the molecular formula C16H13N3O6S2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
PubChem CID6504149
Molecular FormulaC16H13N3O6S2
Molecular Weight407.43 g/mol
Exact Mass407.02
IUPAC Name3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cs2)no1
InChIInChI=1S/C16H13N3O6S2/c1-9-5-14(18-25-9)17-15(20)13-7-12(8-26-13)27(23,24)19-11-4-2-3-10(6-11)16(21)22/h2-8,19H,1H3,(H,21,22)(H,17,18,20)
InChIKeyRCIMXHKYTZEFFX-UHFFFAOYSA-N
XLogP2.80
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid with MolForge

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxamide
CID 27261690
3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6504167
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6503614
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(phenylsulfamoyl)benzamide
CID 171985673
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307959
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid?
The IUPAC name of 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid (CID 6504149) is 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid is Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cs2)no1.
What is the InChIKey of 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid?
The InChIKey is RCIMXHKYTZEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6S2/c1-9-5-14(18-25-9)17-15(20)13-7-12(8-26-13)27(23,24)19-11-4-2-3-10(6-11)16(21)22/h2-8,19H,1H3,(H,21,22)(H,17,18,20).
What are the key properties of 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid?
3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid has a molecular weight of 407.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 6504149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).