methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

C19H22N2O4S — CID 1131031

IUPACmethyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C
InChIInChI=1S/C19H22N2O4S/c1-5-21(6-2)18(23)15-12(3)14(19(24)25-4)17(26-15)20-16(22)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyAQEVFZOEOYDRIW-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.58
Rot. Bonds6

About methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 1131031) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID1131031
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Namemethyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C
InChIInChI=1S/C19H22N2O4S/c1-5-21(6-2)18(23)15-12(3)14(19(24)25-4)17(26-15)20-16(22)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyAQEVFZOEOYDRIW-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4054281
methyl 2-[(2-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3575834
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 4054472
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
methyl 2-[(3,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1359160
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 3353111
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 3452130
methyl 5-(diethylcarbamoyl)-2-[(2-ethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 3268263
methyl 2-[(3-amino-4-methylbenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1373885
ethyl 5-(diethylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1222296
methyl 2-(benzhydrylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 19651992
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 1131031) is methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C.
What is the InChIKey of methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is AQEVFZOEOYDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-5-21(6-2)18(23)15-12(3)14(19(24)25-4)17(26-15)20-16(22)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,20,22).
What are the key properties of methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1131031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).