N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide

C18H21NOS — CID 112791256

IUPACN-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
SMILESCSCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NOS/c1-21-15-18(20)19(14-17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKeyVXVCUDPRKMDODB-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.62
Rot. Bonds7

About N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide

N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 112791256) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
PubChem CID112791256
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
SMILESCSCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NOS/c1-21-15-18(20)19(14-17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKeyVXVCUDPRKMDODB-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 45343218
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide
CID 4814614
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide (CID 112791256) is N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide is CSCC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is VXVCUDPRKMDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-21-15-18(20)19(14-17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3.
What are the key properties of N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide?
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 112791256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).