methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate

C15H15NO3S — CID 17144313

IUPACmethyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-10-3-5-11(6-4-10)9-13(17)16-14-12(7-8-20-14)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyONVSQXARKUUQPM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 17144313) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID17144313
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-10-3-5-11(6-4-10)9-13(17)16-14-12(7-8-20-14)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyONVSQXARKUUQPM-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 41145970
methyl 2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22194993
methyl 2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 55811820
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808764
methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
CID 142886729
methyl 2-(propylcarbamothioylamino)thiophene-3-carboxylate
CID 22966909
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7166886
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4556443
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate (CID 17144313) is methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ONVSQXARKUUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-3-5-11(6-4-10)9-13(17)16-14-12(7-8-20-14)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 17144313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).