N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide

C14H18N2OS — CID 8964705

IUPACN-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSCc1cccc(C#N)c1
InChIInChI=1S/C14H18N2OS/c1-3-11(2)16-14(17)10-18-9-13-6-4-5-12(7-13)8-15/h4-7,11H,3,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyJBYVIHQOFDESSK-LLVKDONJSA-N
MW262.38 g/mol
LogP2.71
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide

N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide (PubChem CID 8964705) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
PubChem CID8964705
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSCc1cccc(C#N)c1
InChIInChI=1S/C14H18N2OS/c1-3-11(2)16-14(17)10-18-9-13-6-4-5-12(7-13)8-15/h4-7,11H,3,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyJBYVIHQOFDESSK-LLVKDONJSA-N
XLogP2.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
CID 8929103
N-butan-2-yl-2-[(3-cyanophenyl)methylsulfonyl]acetamide
CID 82177626
1-butan-2-yl-3-[(3-cyanophenyl)methyl]urea
CID 47216352
N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
propyl 2-[(3-cyanophenyl)methylsulfanyl]acetate
CID 82177663
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
(2R)-2-acetamido-3-[(3-cyanophenyl)methylsulfanyl]propanoic acid
CID 107774427
2-[(3-cyanophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8964627
3-(3-methylbutylsulfanylmethyl)benzonitrile
CID 82178223
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide (CID 8964705) is N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide is CC[C@@H](C)NC(=O)CSCc1cccc(C#N)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
The InChIKey is JBYVIHQOFDESSK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-11(2)16-14(17)10-18-9-13-6-4-5-12(7-13)8-15/h4-7,11H,3,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide?
N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide has a molecular weight of 262.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8964705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).