3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate

C12H6Cl2NO3S- — CID 7100342

IUPAC3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate
SMILESO=C([O-])c1sccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl2NO3S/c13-6-2-1-3-7(14)9(6)11(16)15-8-4-5-19-10(8)12(17)18/h1-5H,(H,15,16)(H,17,18)/p-1
InChIKeySKARHTBXRZNOFQ-UHFFFAOYSA-M
MW315.16 g/mol
LogP2.67
Rot. Bonds3

About 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate

3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate (PubChem CID 7100342) has the molecular formula C12H6Cl2NO3S- and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Name3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate
PubChem CID7100342
Molecular FormulaC12H6Cl2NO3S-
Molecular Weight315.16 g/mol
Exact Mass313.95
IUPAC Name3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate
SMILESO=C([O-])c1sccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl2NO3S/c13-6-2-1-3-7(14)9(6)11(16)15-8-4-5-19-10(8)12(17)18/h1-5H,(H,15,16)(H,17,18)/p-1
InChIKeySKARHTBXRZNOFQ-UHFFFAOYSA-M
XLogP2.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 6987136
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
3-[(2-methyl-6-nitrobenzoyl)amino]thiophene-2-carboxylic acid
CID 29060397
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate (CID 7100342) is 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate is O=C([O-])c1sccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is SKARHTBXRZNOFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H7Cl2NO3S/c13-6-2-1-3-7(14)9(6)11(16)15-8-4-5-19-10(8)12(17)18/h1-5H,(H,15,16)(H,17,18)/p-1.
What are the key properties of 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate?
3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 315.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 7100342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).