3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide

C23H24N2O4S — CID 55792504

IUPAC3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C23H24N2O4S/c1-4-29-19-14-20(16-9-6-5-7-10-16)30-22(19)23(27)25(2)15-21(26)24-17-11-8-12-18(13-17)28-3/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyKDVVTOYZTWJIPU-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.53
Rot. Bonds8

About 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide

3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide (PubChem CID 55792504) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
PubChem CID55792504
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C23H24N2O4S/c1-4-29-19-14-20(16-9-6-5-7-10-16)30-22(19)23(27)25(2)15-21(26)24-17-11-8-12-18(13-17)28-3/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyKDVVTOYZTWJIPU-UHFFFAOYSA-N
XLogP4.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
CID 55793294
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24818231
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide (CID 55792504) is 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The InChIKey is KDVVTOYZTWJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-4-29-19-14-20(16-9-6-5-7-10-16)30-22(19)23(27)25(2)15-21(26)24-17-11-8-12-18(13-17)28-3/h5-14H,4,15H2,1-3H3,(H,24,26).
What are the key properties of 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide?
3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).