5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C13H9Cl2NO3S — CID 28550112

IUPAC5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(Cl)cccc2Cl)sc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3S/c1-6-5-9(20-11(6)13(18)19)16-12(17)10-7(14)3-2-4-8(10)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeySKPFMGPDDGFCLR-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.31
Rot. Bonds3

About 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 28550112) has the molecular formula C13H9Cl2NO3S and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID28550112
Molecular FormulaC13H9Cl2NO3S
Molecular Weight330.19 g/mol
Exact Mass328.97
IUPAC Name5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(Cl)cccc2Cl)sc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3S/c1-6-5-9(20-11(6)13(18)19)16-12(17)10-7(14)3-2-4-8(10)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeySKPFMGPDDGFCLR-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356654
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172847

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 28550112) is 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2c(Cl)cccc2Cl)sc1C(=O)O.
What is the InChIKey of 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is SKPFMGPDDGFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3S/c1-6-5-9(20-11(6)13(18)19)16-12(17)10-7(14)3-2-4-8(10)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 330.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 28550112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).