5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C14H13NO4S — CID 16771317

IUPAC5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1O
InChIInChI=1S/C14H13NO4S/c1-7-3-4-9(6-10(7)16)13(17)15-11-5-8(2)12(20-11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyBCCKATKSDJPJNK-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.02
Rot. Bonds3

About 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16771317) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16771317
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1O
InChIInChI=1S/C14H13NO4S/c1-7-3-4-9(6-10(7)16)13(17)15-11-5-8(2)12(20-11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyBCCKATKSDJPJNK-UHFFFAOYSA-N
XLogP3.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16771317) is 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1O.
What is the InChIKey of 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BCCKATKSDJPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-7-3-4-9(6-10(7)16)13(17)15-11-5-8(2)12(20-11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16771317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).