2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C14H21NO2S — CID 79252384

IUPAC2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(2)13(8-16)15-14(17)10-18-9-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyBZIYTONTBJBAMN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.05
Rot. Bonds7

About 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79252384) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79252384
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(2)13(8-16)15-14(17)10-18-9-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyBZIYTONTBJBAMN-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
(2R)-2-(2-benzylsulfanylethylamino)-3-methylbutan-1-ol
CID 125480523
(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79252384) is 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is BZIYTONTBJBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)13(8-16)15-14(17)10-18-9-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).