2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide

C23H24N2O4S — CID 1246293

IUPAC2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(N)=O)c1OC
InChIInChI=1S/C23H24N2O4S/c1-12-9-10-15(11-13(12)2)18-14(3)30-23(19(18)21(24)26)25-22(27)16-7-6-8-17(28-4)20(16)29-5/h6-11H,1-5H3,(H2,24,26)(H,25,27)
InChIKeyVBOPSJFYOWTIQG-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.71
Rot. Bonds6

About 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide

2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide (PubChem CID 1246293) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide
PubChem CID1246293
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(N)=O)c1OC
InChIInChI=1S/C23H24N2O4S/c1-12-9-10-15(11-13(12)2)18-14(3)30-23(19(18)21(24)26)25-22(27)16-7-6-8-17(28-4)20(16)29-5/h6-11H,1-5H3,(H2,24,26)(H,25,27)
InChIKeyVBOPSJFYOWTIQG-UHFFFAOYSA-N
XLogP4.71
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27521344
(3R)-5-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27521342
2-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572450
methyl 4-(3-chlorophenyl)-5-methyl-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate
CID 19220320
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
ethyl 4-carbamoyl-5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7521227
(6S)-2-[(2-methoxy-3-methylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7380334
ethyl 5-methyl-4-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2205035
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide (CID 1246293) is 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide is COc1cccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(N)=O)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is VBOPSJFYOWTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-12-9-10-15(11-13(12)2)18-14(3)30-23(19(18)21(24)26)25-22(27)16-7-6-8-17(28-4)20(16)29-5/h6-11H,1-5H3,(H2,24,26)(H,25,27).
What are the key properties of 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide?
2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxybenzoyl)amino]-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).