5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid

C14H14N2O3S — CID 65237727

IUPAC5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C(=O)O)sc1C
InChIInChI=1S/C14H14N2O3S/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14(18)19/h3-6H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXPLZSEHPJYBOOU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.90
Rot. Bonds3

About 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid

5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 65237727) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID65237727
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C(=O)O)sc1C
InChIInChI=1S/C14H14N2O3S/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14(18)19/h3-6H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXPLZSEHPJYBOOU-UHFFFAOYSA-N
XLogP2.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 62867660
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid (CID 65237727) is 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(N)cc2C(=O)O)sc1C.
What is the InChIKey of 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is XPLZSEHPJYBOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(15)6-10(11)14(18)19/h3-6H,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid?
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65237727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).