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

C19H23N3O5S — CID 24565982

IUPACmethyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C19H23N3O5S/c1-4-22(11-16(23)20-13-5-7-14(26-2)8-6-13)12-17(24)21-15-9-10-28-18(15)19(25)27-3/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCQKYMJMVFGHQIM-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.44
Rot. Bonds9

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

methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate (PubChem CID 24565982) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
PubChem CID24565982
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Namemethyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C19H23N3O5S/c1-4-22(11-16(23)20-13-5-7-14(26-2)8-6-13)12-17(24)21-15-9-10-28-18(15)19(25)27-3/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCQKYMJMVFGHQIM-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

Analyze methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
methyl 3-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 46808882
3-[[2-[aminomethyl(ethyl)amino]acetyl]amino]thiophene-2-carboxylic acid;ethane
CID 142231720
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087872

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate (CID 24565982) is methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is CQKYMJMVFGHQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-22(11-16(23)20-13-5-7-14(26-2)8-6-13)12-17(24)21-15-9-10-28-18(15)19(25)27-3/h5-10H,4,11-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-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 methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24565982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).