ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate

C19H23N3O5S — CID 38366260

IUPACethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN(C)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-19(25)15-9-10-28-18(15)21-17(24)12-22(2)11-16(23)20-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySAWGEIXDCOFWNW-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.44
Rot. Bonds9

About ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate (PubChem CID 38366260) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
PubChem CID38366260
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Nameethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN(C)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-19(25)15-9-10-28-18(15)21-17(24)12-22(2)11-16(23)20-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySAWGEIXDCOFWNW-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-ethyl-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46562031
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
ethyl 2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46482700
ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24565982
methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate (CID 38366260) is ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CN(C)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is SAWGEIXDCOFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-27-19(25)15-9-10-28-18(15)21-17(24)12-22(2)11-16(23)20-13-5-7-14(26-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 38366260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).