[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

C18H17ClN2O4S — CID 35575333

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O4S/c19-14-3-1-2-4-15(14)26-10-9-17(23)25-11-16(22)21-13-7-5-12(6-8-13)18(20)24/h1-8H,9-11H2,(H2,20,24)(H,21,22)
InChIKeyUKAZTKBFJJXLIK-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.10
Rot. Bonds8

About [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (PubChem CID 35575333) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
PubChem CID35575333
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O4S/c19-14-3-1-2-4-15(14)26-10-9-17(23)25-11-16(22)21-13-7-5-12(6-8-13)18(20)24/h1-8H,9-11H2,(H2,20,24)(H,21,22)
InChIKeyUKAZTKBFJJXLIK-UHFFFAOYSA-N
XLogP3.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42963433
[2-(3-cyanoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2453296
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
CID 2092457
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42982229
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (CID 35575333) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is NC(=O)c1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The InChIKey is UKAZTKBFJJXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-14-3-1-2-4-15(14)26-10-9-17(23)25-11-16(22)21-13-7-5-12(6-8-13)18(20)24/h1-8H,9-11H2,(H2,20,24)(H,21,22).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate has a molecular weight of 392.86 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 35575333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).