5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid

C13H11NO4S — CID 63617001

IUPAC5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H11NO4S/c1-8-7-10(12(15)16)11(19-8)14-13(17)18-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyOPGKHQSEKYQDAV-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.37
Rot. Bonds3

About 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid

5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid (PubChem CID 63617001) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
PubChem CID63617001
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H11NO4S/c1-8-7-10(12(15)16)11(19-8)14-13(17)18-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyOPGKHQSEKYQDAV-UHFFFAOYSA-N
XLogP3.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
CID 63617172
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
CID 63616153
5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid
CID 63616841
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 63615979
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
4-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 172702849
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid (CID 63617001) is 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)Oc2ccccc2)s1.
What is the InChIKey of 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid?
The InChIKey is OPGKHQSEKYQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-8-7-10(12(15)16)11(19-8)14-13(17)18-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid?
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).