methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

C20H24N2O4S — CID 1131520

IUPACmethyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C20H24N2O4S/c1-10(2)17(23)22-19-15(20(25)26-6)13(5)16(27-19)18(24)21-14-8-7-11(3)9-12(14)4/h7-10H,1-6H3,(H,21,24)(H,22,23)
InChIKeyZYAVNQCQJBWOMF-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.31
Rot. Bonds5

About methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (PubChem CID 1131520) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
PubChem CID1131520
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Namemethyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C20H24N2O4S/c1-10(2)17(23)22-19-15(20(25)26-6)13(5)16(27-19)18(24)21-14-8-7-11(3)9-12(14)4/h7-10H,1-6H3,(H,21,24)(H,22,23)
InChIKeyZYAVNQCQJBWOMF-UHFFFAOYSA-N
XLogP4.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 3135418
methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1130941
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate
CID 28694045
methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1015049
methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131600
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 28694064
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 26264996
propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1003102
ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 28694085
dimethyl 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 44918850
methyl 2-amino-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 808900

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (CID 1131520) is methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(C)cc2C)c1C.
What is the InChIKey of methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The InChIKey is ZYAVNQCQJBWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-10(2)17(23)22-19-15(20(25)26-6)13(5)16(27-19)18(24)21-14-8-7-11(3)9-12(14)4/h7-10H,1-6H3,(H,21,24)(H,22,23).
What are the key properties of methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1131520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).