methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate

C15H14N2O4S — CID 26467017

IUPACmethyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)s1
InChIInChI=1S/C15H14N2O4S/c1-9(18)16-11-5-3-4-10(8-11)14(19)17-13-7-6-12(22-13)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPXXBUZVAUXVTSA-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.75
Rot. Bonds4

About methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate

methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate (PubChem CID 26467017) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate
PubChem CID26467017
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namemethyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)s1
InChIInChI=1S/C15H14N2O4S/c1-9(18)16-11-5-3-4-10(8-11)14(19)17-13-7-6-12(22-13)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPXXBUZVAUXVTSA-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
3-acetamido-N-ethylbenzamide
CID 17230670
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 142617336
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate (CID 26467017) is methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)s1.
What is the InChIKey of methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is PXXBUZVAUXVTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9(18)16-11-5-3-4-10(8-11)14(19)17-13-7-6-12(22-13)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate?
methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-acetamidobenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 26467017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).