N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide

C20H22N2OS — CID 8929103

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CSCc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N2OS/c1-3-15(2)18-7-9-19(10-8-18)22-20(23)14-24-13-17-6-4-5-16(11-17)12-21/h4-11,15H,3,13-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyRWLCBRKPYOTLLC-HNNXBMFYSA-N
MW338.48 g/mol
LogP4.94
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide (PubChem CID 8929103) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
PubChem CID8929103
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CSCc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N2OS/c1-3-15(2)18-7-9-19(10-8-18)22-20(23)14-24-13-17-6-4-5-16(11-17)12-21/h4-11,15H,3,13-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyRWLCBRKPYOTLLC-HNNXBMFYSA-N
XLogP4.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide 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

N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
CID 8964705
N-(4-butan-2-ylphenyl)-2-(cyanomethylsulfanyl)acetamide
CID 43071670
methyl 3-[[2-(3-cyanoanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 40679915
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
3-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540597
N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanamide
CID 55760326
2-[(3-cyanophenyl)methylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8964683
propyl 2-[(3-cyanophenyl)methylsulfanyl]acetate
CID 82177663
3-[(4-propan-2-ylphenyl)methylsulfanylmethyl]benzonitrile
CID 82178012
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide (CID 8929103) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide is CC[C@H](C)c1ccc(NC(=O)CSCc2cccc(C#N)c2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The InChIKey is RWLCBRKPYOTLLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-3-15(2)18-7-9-19(10-8-18)22-20(23)14-24-13-17-6-4-5-16(11-17)12-21/h4-11,15H,3,13-14H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide has a molecular weight of 338.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8929103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).