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

C20H24N2O4S — CID 1130941

IUPACmethyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C20H24N2O4S/c1-10(2)17(23)22-19-15(20(25)26-6)13(5)16(27-19)18(24)21-14-8-11(3)7-12(4)9-14/h7-10H,1-6H3,(H,21,24)(H,22,23)
InChIKeyRRUHANUIEHLJER-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.31
Rot. Bonds5

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

methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (PubChem CID 1130941) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
PubChem CID1130941
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Namemethyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C20H24N2O4S/c1-10(2)17(23)22-19-15(20(25)26-6)13(5)16(27-19)18(24)21-14-8-11(3)7-12(4)9-14/h7-10H,1-6H3,(H,21,24)(H,22,23)
InChIKeyRRUHANUIEHLJER-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-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1015049
methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131520
methyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1130983
methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131600
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131035
methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1130815
methyl 5-[(3-methoxyphenyl)carbamoyl]-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1130945
methyl 2-[(4-chlorobenzoyl)amino]-5-[(2,5-dichlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061495
methyl 2-(furan-2-carbonylamino)-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131163
methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 2970386
methyl 5-[(2,5-dichlorophenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17063966
methyl 2-[(4-chlorobenzoyl)amino]-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130924

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (CID 1130941) is methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cc(C)cc(C)c2)c1C.
What is the InChIKey of methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The InChIKey is RRUHANUIEHLJER-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)21-14-8-11(3)7-12(4)9-14/h7-10H,1-6H3,(H,21,24)(H,22,23).
What are the key properties of methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
methyl 5-[(3,5-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-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1130941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).