5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

C14H14N2O4S — CID 16776144

IUPAC5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H14N2O4S/c1-8-7-11(21-12(8)13(17)18)16-14(19)15-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFPKMYRGEJKOLJD-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.41
Rot. Bonds4

About 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16776144) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID16776144
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H14N2O4S/c1-8-7-11(21-12(8)13(17)18)16-14(19)15-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyFPKMYRGEJKOLJD-UHFFFAOYSA-N
XLogP3.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43318106
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 107653080
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (CID 16776144) is 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is COc1ccccc1NC(=O)Nc1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is FPKMYRGEJKOLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-7-11(21-12(8)13(17)18)16-14(19)15-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16776144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).