methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate

C19H17NO3S — CID 68756461

IUPACmethyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO3S/c1-12-11-24-18(17(12)19(22)23-2)20-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyVEWANRUFNQPHRD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.18
Rot. Bonds4

About methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate

methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 68756461) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID68756461
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Namemethyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO3S/c1-12-11-24-18(17(12)19(22)23-2)20-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyVEWANRUFNQPHRD-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
CID 141275988
ethyl 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 1019649
methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
CID 44918890
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
ethyl 5-acetyl-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 4863579
ethyl 4-(4-bromophenyl)-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate
CID 4863546
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091
N-(2-iodothiophen-3-yl)-2-naphthalen-1-ylacetamide
CID 68754386
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552
(1S,6S)-6-[(3-methoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 29056225
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate (CID 68756461) is methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(C)csc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is VEWANRUFNQPHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-12-11-24-18(17(12)19(22)23-2)20-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 68756461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).