N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

C14H21NOS — CID 60629714

IUPACN,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-15(5-2)14(16)11-17-10-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyVPIXULBBFGJRRC-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.10
Rot. Bonds6

About N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 60629714) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID60629714
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-15(5-2)14(16)11-17-10-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyVPIXULBBFGJRRC-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739
2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 78786758
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233566
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103915456
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 54901266
N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide
CID 91653153
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]propanoic acid
CID 61006968
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387561
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 119206308
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
CID 55983584

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 60629714) is N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is CCN(CC)C(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is VPIXULBBFGJRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-15(5-2)14(16)11-17-10-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 251.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 60629714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).