2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide

C17H27NOS — CID 4051630

IUPAC2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CSCc1ccccc1
InChIInChI=1S/C17H27NOS/c1-14(2)8-7-9-15(3)18-17(19)13-20-12-16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3,(H,18,19)
InChIKeyFUMSWMUGRRGOGA-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.25
Rot. Bonds9

About 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide

2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide (PubChem CID 4051630) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
PubChem CID4051630
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CSCc1ccccc1
InChIInChI=1S/C17H27NOS/c1-14(2)8-7-9-15(3)18-17(19)13-20-12-16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3,(H,18,19)
InChIKeyFUMSWMUGRRGOGA-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.25
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
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
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
(2S)-2-[(2-benzylsulfanylacetyl)amino]hexanoic acid
CID 107143903
5-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 82846214
(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide (CID 4051630) is 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is FUMSWMUGRRGOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-14(2)8-7-9-15(3)18-17(19)13-20-12-16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide?
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 293.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 4051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).