methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate

C15H15NO3S — CID 17417091

IUPACmethyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H15NO3S/c1-9-7-13(10(2)20-9)14(17)16-12-6-4-5-11(8-12)15(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyYPQLITXOPITCSD-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.40
Rot. Bonds3

About methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate

methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate (PubChem CID 17417091) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
PubChem CID17417091
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H15NO3S/c1-9-7-13(10(2)20-9)14(17)16-12-6-4-5-11(8-12)15(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyYPQLITXOPITCSD-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate (CID 17417091) is methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate?
The InChIKey is YPQLITXOPITCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-7-13(10(2)20-9)14(17)16-12-6-4-5-11(8-12)15(18)19-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate?
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate has a molecular weight of 289.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 17417091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).