2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide

C18H20ClNO2S — CID 78856326

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13(21)11-20-17(22)12-23-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,13,18,21H,11-12H2,1H3,(H,20,22)
InChIKeyQCOWEIVKOBWBHB-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.66
Rot. Bonds7

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide (PubChem CID 78856326) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
PubChem CID78856326
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13(21)11-20-17(22)12-23-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,13,18,21H,11-12H2,1H3,(H,20,22)
InChIKeyQCOWEIVKOBWBHB-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide (CID 78856326) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide?
The InChIKey is QCOWEIVKOBWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-13(21)11-20-17(22)12-23-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,13,18,21H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide has a molecular weight of 349.88 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 78856326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).