methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

C24H25NO6S — CID 2241808

IUPACmethyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H25NO6S/c1-13-7-8-15(9-14(13)2)17-12-32-23(20(17)24(27)31-6)25-22(26)16-10-18(28-3)21(30-5)19(11-16)29-4/h7-12H,1-6H3,(H,25,26)
InChIKeyJSPKZFKWBLNGPV-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.10
Rot. Bonds7

About methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 2241808) has the molecular formula C24H25NO6S and a molecular weight of 455.53 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID2241808
Molecular FormulaC24H25NO6S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Namemethyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H25NO6S/c1-13-7-8-15(9-14(13)2)17-12-32-23(20(17)24(27)31-6)25-22(26)16-10-18(28-3)21(30-5)19(11-16)29-4/h7-12H,1-6H3,(H,25,26)
InChIKeyJSPKZFKWBLNGPV-UHFFFAOYSA-N
XLogP5.10
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3,4-dichlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241844
ethyl 4-(4-fluorophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2133017
methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 1277418
methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
CID 2241755
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241891
ethyl 2-acetamido-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 734061
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1222700
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1038260
2-[(4-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid
CID 25225963
N-[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]pyridine-4-carboxamide
CID 1246980
methyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 2241779
methyl 2-[(4-methylbenzoyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19226548

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (CID 2241808) is methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is JSPKZFKWBLNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6S/c1-13-7-8-15(9-14(13)2)17-12-32-23(20(17)24(27)31-6)25-22(26)16-10-18(28-3)21(30-5)19(11-16)29-4/h7-12H,1-6H3,(H,25,26).
What are the key properties of methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 455.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2241808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).