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

C14H21NO2S — CID 83518576

IUPACN,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO2S/c1-3-15(4-2)14(17)11-18-10-13-7-5-12(9-16)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZQUYJBLWSYFCGQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.28
Rot. Bonds7

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

N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 83518576) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
PubChem CID83518576
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO2S/c1-3-15(4-2)14(17)11-18-10-13-7-5-12(9-16)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZQUYJBLWSYFCGQ-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233566
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-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 110006894
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890
N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54946973

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide (CID 83518576) is N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide is CCN(CC)C(=O)CSCc1ccc(CO)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is ZQUYJBLWSYFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-15(4-2)14(17)11-18-10-13-7-5-12(9-16)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 83518576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).