[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate

C25H25N3O6S — CID 55508832

IUPAC[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C25H25N3O6S/c1-16(29)26-20(22-8-5-13-35-22)14-24(31)34-15-23(30)27-18-11-9-17(10-12-18)25(32)28-19-6-3-4-7-21(19)33-2/h3-13,20H,14-15H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)
InChIKeyYKDPYFNWGPGIMX-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.76
Rot. Bonds10

About [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate (PubChem CID 55508832) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
PubChem CID55508832
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C25H25N3O6S/c1-16(29)26-20(22-8-5-13-35-22)14-24(31)34-15-23(30)27-18-11-9-17(10-12-18)25(32)28-19-6-3-4-7-21(19)33-2/h3-13,20H,14-15H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)
InChIKeyYKDPYFNWGPGIMX-UHFFFAOYSA-N
XLogP3.76
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46694823
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46601070
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 92535437
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 41171136
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4094294
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42963433
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695161
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 41239408

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate (CID 55508832) is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate.
What is the SMILES notation for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The canonical SMILES for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate is COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2cccs2)cc1.
What is the InChIKey of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The InChIKey is YKDPYFNWGPGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-16(29)26-20(22-8-5-13-35-22)14-24(31)34-15-23(30)27-18-11-9-17(10-12-18)25(32)28-19-6-3-4-7-21(19)33-2/h3-13,20H,14-15H2,1-2H3,(H,26,29)(H,27,30)(H,28,32).
What are the key properties of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate has a molecular weight of 495.56 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 55508832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).