propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate

C15H16N2O3S — CID 61118465

IUPACpropan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)20-15(19)10-3-5-11(6-4-10)17-14(18)13-12(16)7-8-21-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyHOUMTEARZNOUEY-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.15
Rot. Bonds4

About propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate

propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate (PubChem CID 61118465) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
PubChem CID61118465
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namepropan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)20-15(19)10-3-5-11(6-4-10)17-14(18)13-12(16)7-8-21-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyHOUMTEARZNOUEY-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 61110938
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 61117853
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate (CID 61118465) is propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2sccc2N)cc1.
What is the InChIKey of propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate?
The InChIKey is HOUMTEARZNOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)20-15(19)10-3-5-11(6-4-10)17-14(18)13-12(16)7-8-21-13/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate?
propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate has a molecular weight of 304.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 61118465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).