methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate

C15H16N2O3S — CID 61113252

IUPACmethyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-12(16)7-13(21-9)14(18)17-8-10-3-5-11(6-4-10)15(19)20-2/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyNMGIHUHADITQMF-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.36
Rot. Bonds4

About methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate

methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate (PubChem CID 61113252) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
PubChem CID61113252
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-12(16)7-13(21-9)14(18)17-8-10-3-5-11(6-4-10)15(19)20-2/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyNMGIHUHADITQMF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 76932895
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate (CID 61113252) is methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(N)c(C)s2)cc1.
What is the InChIKey of methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate?
The InChIKey is NMGIHUHADITQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-12(16)7-13(21-9)14(18)17-8-10-3-5-11(6-4-10)15(19)20-2/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate?
methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate has a molecular weight of 304.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 61113252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).