methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate

C15H16N2O3S — CID 114914504

IUPACmethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-8-21-14(15(19)20-2)13(9)17-12(18)7-10-3-5-11(16)6-4-10/h3-6,8H,7,16H2,1-2H3,(H,17,18)
InChIKeyFJTSNBNXZHNSFY-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate

methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate (PubChem CID 114914504) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
PubChem CID114914504
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-8-21-14(15(19)20-2)13(9)17-12(18)7-10-3-5-11(16)6-4-10/h3-6,8H,7,16H2,1-2H3,(H,17,18)
InChIKeyFJTSNBNXZHNSFY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-bromo-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
CID 176893694
5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
CID 114915310
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914845
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915667
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078
methyl 3-[(3-amino-5-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914531
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114914536
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
methyl 3-[(2-amino-6-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914489

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate (CID 114914504) is methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate?
The InChIKey is FJTSNBNXZHNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-8-21-14(15(19)20-2)13(9)17-12(18)7-10-3-5-11(16)6-4-10/h3-6,8H,7,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate?
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114914504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).