methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate

C25H20ClNO4S — CID 3552609

IUPACmethyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C25H20ClNO4S/c1-3-31-20-13-12-15-8-4-5-9-16(15)21(20)23(28)27-24-22(25(29)30-2)18(14-32-24)17-10-6-7-11-19(17)26/h4-14H,3H2,1-2H3,(H,27,28)
InChIKeyLRAOHFNVNWATGF-UHFFFAOYSA-N
MW465.96 g/mol
LogP6.66
Rot. Bonds6

About methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate

methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 3552609) has the molecular formula C25H20ClNO4S and a molecular weight of 465.96 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate
PubChem CID3552609
Molecular FormulaC25H20ClNO4S
Molecular Weight465.96 g/mol
Exact Mass465.08
IUPAC Namemethyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C25H20ClNO4S/c1-3-31-20-13-12-15-8-4-5-9-16(15)21(20)23(28)27-24-22(25(29)30-2)18(14-32-24)17-10-6-7-11-19(17)26/h4-14H,3H2,1-2H3,(H,27,28)
InChIKeyLRAOHFNVNWATGF-UHFFFAOYSA-N
XLogP6.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-chlorophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate
CID 71890603
ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2354399
4-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoate
CID 4217639
methyl 4-(2-chlorophenyl)-2-[[2-(2-methoxy-2-oxoethyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 24571172
ethyl 4-(2-chlorophenyl)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 2168788
methyl 4-(2-chlorophenyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 24569407
methyl 2-[(5-methylfuran-2-carbonyl)amino]-4-naphthalen-1-ylthiophene-3-carboxylate
CID 3249818
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
methyl 4-(2-chlorophenyl)-2-[(2-thiomorpholin-4-ylacetyl)amino]thiophene-3-carboxylate
CID 56524891
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 509333
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241799
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate
CID 2241801

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate (CID 3552609) is methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate is CCOc1ccc2ccccc2c1C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC.
What is the InChIKey of methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is LRAOHFNVNWATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4S/c1-3-31-20-13-12-15-8-4-5-9-16(15)21(20)23(28)27-24-22(25(29)30-2)18(14-32-24)17-10-6-7-11-19(17)26/h4-14H,3H2,1-2H3,(H,27,28).
What are the key properties of methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate?
methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 465.96 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 3552609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).