2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide

C13H19NOS — CID 40654458

IUPAC2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSCc1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCAYJEHBMEUYIQZ-NSHDSACASA-N
MW237.37 g/mol
LogP2.83
Rot. Bonds6

About 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide

2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide (PubChem CID 40654458) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
PubChem CID40654458
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSCc1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCAYJEHBMEUYIQZ-NSHDSACASA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
3-benzylsulfanyl-N-butan-2-ylpropanamide
CID 19916451
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
N-[(2R)-butan-2-yl]-2-[(3-cyanophenyl)methylsulfanyl]acetamide
CID 8964705
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252384

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide (CID 40654458) is 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is CAYJEHBMEUYIQZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-11(2)14-13(15)10-16-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide?
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 237.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 40654458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).