2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid

C14H11Cl2NO3S — CID 63616145

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H11Cl2NO3S/c1-7-4-9(14(19)20)13(21-7)17-12(18)6-8-2-3-10(15)11(16)5-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHEMDQLAYFBSRK-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.24
Rot. Bonds4

About 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid

2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63616145) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
PubChem CID63616145
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H11Cl2NO3S/c1-7-4-9(14(19)20)13(21-7)17-12(18)6-8-2-3-10(15)11(16)5-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHEMDQLAYFBSRK-UHFFFAOYSA-N
XLogP4.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
CID 63614206
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 994837
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
2-(hexanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63615671
5-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylic acid
CID 63615175
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 63615979
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid (CID 63616145) is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is XHEMDQLAYFBSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-7-4-9(14(19)20)13(21-7)17-12(18)6-8-2-3-10(15)11(16)5-8/h2-5H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 344.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63616145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).