[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate

C14H17ClN2O4S — CID 40619585

IUPAC[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-3-16-14(20)17-13(19)9(2)21-12(18)8-22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,19,20)/t9-/m1/s1
InChIKeyDDCFZDJDXNPBJH-SECBINFHSA-N
MW344.82 g/mol
LogP2.21
Rot. Bonds6

About [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 40619585) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID40619585
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-3-16-14(20)17-13(19)9(2)21-12(18)8-22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,19,20)/t9-/m1/s1
InChIKeyDDCFZDJDXNPBJH-SECBINFHSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521344
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8944054
[1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321491
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8603313
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate
CID 42970824
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752693
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8943929
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948018
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999028

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate (CID 40619585) is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate is CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is DDCFZDJDXNPBJH-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-3-16-14(20)17-13(19)9(2)21-12(18)8-22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,19,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate?
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 344.82 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 40619585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).