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

C17H18N2O4S — CID 4054281

IUPACmethyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C17H18N2O4S/c1-10-12(17(22)23-4)15(24-13(10)16(21)19(2)3)18-14(20)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,20)
InChIKeyKIFSJQJQRGJFHP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.80
Rot. Bonds4

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

methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 4054281) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID4054281
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namemethyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C17H18N2O4S/c1-10-12(17(22)23-4)15(24-13(10)16(21)19(2)3)18-14(20)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,20)
InChIKeyKIFSJQJQRGJFHP-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
dimethyl 5-[(2-benzamidoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 28694131
ethyl 2-[(4-chlorobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 5244334
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 5044176
methyl 2-[(2,2-dichloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4205086
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
methyl 5-(dimethylcarbamoyl)-2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 3582535
methyl 2-benzamido-5-[(2,3-dichlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061110
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064928

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 4054281) is methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is KIFSJQJQRGJFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-12(17(22)23-4)15(24-13(10)16(21)19(2)3)18-14(20)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,20).
What are the key properties of methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 4054281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).