N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide

C18H17ClN2OS — CID 8967993

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccccc1C#N)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2OS/c1-13(14-7-4-8-17(19)9-14)21-18(22)12-23-11-16-6-3-2-5-15(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyQWWOZPBHEQYDOO-ZDUSSCGKSA-N
MW344.87 g/mol
LogP4.32
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide (PubChem CID 8967993) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
PubChem CID8967993
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccccc1C#N)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2OS/c1-13(14-7-4-8-17(19)9-14)21-18(22)12-23-11-16-6-3-2-5-15(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyQWWOZPBHEQYDOO-ZDUSSCGKSA-N
XLogP4.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
N-[1-(3-chlorophenyl)ethyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759044
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4875335

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide (CID 8967993) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide is C[C@H](NC(=O)CSCc1ccccc1C#N)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
The InChIKey is QWWOZPBHEQYDOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-13(14-7-4-8-17(19)9-14)21-18(22)12-23-11-16-6-3-2-5-15(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide has a molecular weight of 344.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8967993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).