[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

C23H20ClNO3S — CID 2365823

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO3S/c24-19-13-11-17(12-14-19)15-25-21(26)16-28-23(27)22(18-7-3-1-4-8-18)29-20-9-5-2-6-10-20/h1-14,22H,15-16H2,(H,25,26)/t22-/m0/s1
InChIKeyGIPRISLNGWPEOM-QFIPXVFZSA-N
MW425.94 g/mol
LogP5.03
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 2365823) has the molecular formula C23H20ClNO3S and a molecular weight of 425.94 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID2365823
Molecular FormulaC23H20ClNO3S
Molecular Weight425.94 g/mol
Exact Mass425.09
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO3S/c24-19-13-11-17(12-14-19)15-25-21(26)16-28-23(27)22(18-7-3-1-4-8-18)29-20-9-5-2-6-10-20/h1-14,22H,15-16H2,(H,25,26)/t22-/m0/s1
InChIKeyGIPRISLNGWPEOM-QFIPXVFZSA-N
XLogP5.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842927
1-[(4-chlorophenyl)methyl]-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 2956706
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209299
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842747
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8938898
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (CID 2365823) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is GIPRISLNGWPEOM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20ClNO3S/c24-19-13-11-17(12-14-19)15-25-21(26)16-28-23(27)22(18-7-3-1-4-8-18)29-20-9-5-2-6-10-20/h1-14,22H,15-16H2,(H,25,26)/t22-/m0/s1.
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 425.94 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 2365823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).