5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid

C15H15NO4S — CID 43356648

IUPAC5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-7-12(21-13(9)15(18)19)16-14(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIKZCRYLZFGCIOI-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.15
Rot. Bonds5

About 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid

5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356648) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356648
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-7-12(21-13(9)15(18)19)16-14(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIKZCRYLZFGCIOI-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
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-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16792115
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29031196
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid (CID 43356648) is 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid is COCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is IKZCRYLZFGCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-7-12(21-13(9)15(18)19)16-14(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid?
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).