3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid

C14H12ClNO4S — CID 114915099

IUPAC3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-8-7-21-13(14(18)19)12(8)16-11(17)6-20-10-5-3-2-4-9(10)15/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFNNMQAGIUZXWST-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.43
Rot. Bonds5

About 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid

3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114915099) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114915099
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-8-7-21-13(14(18)19)12(8)16-11(17)6-20-10-5-3-2-4-9(10)15/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFNNMQAGIUZXWST-UHFFFAOYSA-N
XLogP3.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(4-amino-2-chloro-6-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 100828371
3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336577
2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7815730
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-(5-bromo-2-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 55804154

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid (CID 114915099) is 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is FNNMQAGIUZXWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-8-7-21-13(14(18)19)12(8)16-11(17)6-20-10-5-3-2-4-9(10)15/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 325.77 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).