[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate

C23H20ClNO4S — CID 17467396

IUPAC[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate
SMILESCS(=O)c1ccccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO4S/c1-30(28)20-10-6-5-9-19(20)23(27)29-15-21(26)25-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,26)
InChIKeyHIGJGUKHULRLEZ-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.14
Rot. Bonds7

About [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate

[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate (PubChem CID 17467396) has the molecular formula C23H20ClNO4S and a molecular weight of 441.94 g/mol. Its IUPAC name is [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate.

Molecular Properties

Compound Name[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate
PubChem CID17467396
Molecular FormulaC23H20ClNO4S
Molecular Weight441.94 g/mol
Exact Mass441.08
IUPAC Name[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate
SMILESCS(=O)c1ccccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO4S/c1-30(28)20-10-6-5-9-19(20)23(27)29-15-21(26)25-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,26)
InChIKeyHIGJGUKHULRLEZ-UHFFFAOYSA-N
XLogP4.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926664
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927590
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926966
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926734
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927617
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927
2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
CID 8851691
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927150
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927626

Frequently Asked Questions

What is the IUPAC name of [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate?
The IUPAC name of [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate (CID 17467396) is [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate.
What is the SMILES notation for [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate?
The canonical SMILES for [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate is CS(=O)c1ccccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate?
The InChIKey is HIGJGUKHULRLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4S/c1-30(28)20-10-6-5-9-19(20)23(27)29-15-21(26)25-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,26).
What are the key properties of [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate?
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate has a molecular weight of 441.94 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate is sourced from PubChem (CID 17467396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).