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

C20H19NO6S2 — CID 1277418

IUPACmethyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H19NO6S2/c1-24-13-8-11(9-14(25-2)17(13)26-3)18(22)21-19-16(20(23)27-4)12(10-29-19)15-6-5-7-28-15/h5-10H,1-4H3,(H,21,22)
InChIKeyIAUBLRDIGPEBCU-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.54
Rot. Bonds7

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

methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 1277418) has the molecular formula C20H19NO6S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID1277418
Molecular FormulaC20H19NO6S2
Molecular Weight433.51 g/mol
Exact Mass433.07
IUPAC Namemethyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H19NO6S2/c1-24-13-8-11(9-14(25-2)17(13)26-3)18(22)21-19-16(20(23)27-4)12(10-29-19)15-6-5-7-28-15/h5-10H,1-4H3,(H,21,22)
InChIKeyIAUBLRDIGPEBCU-UHFFFAOYSA-N
XLogP4.54
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2241808
methyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 23611145
methyl 2-[(2-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 16644350
ethyl 4-(4-fluorophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2133017
methyl 2-[(2-oxochromene-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 9124252
methyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 3433986
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 8975394
methyl 2-[[2-(2-prop-2-enylphenoxy)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 16644359
methyl 2-[(2,6-dimethoxybenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3554816
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 17416979

Frequently Asked Questions

What is the IUPAC name of methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (CID 1277418) is methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is IAUBLRDIGPEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S2/c1-24-13-8-11(9-14(25-2)17(13)26-3)18(22)21-19-16(20(23)27-4)12(10-29-19)15-6-5-7-28-15/h5-10H,1-4H3,(H,21,22).
What are the key properties of methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).