N,N-diethyl-4-(methylsulfanylmethyl)benzamide

C13H19NOS — CID 60635900

IUPACN,N-diethyl-4-(methylsulfanylmethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(CSC)cc1
InChIInChI=1S/C13H19NOS/c1-4-14(5-2)13(15)12-8-6-11(7-9-12)10-16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyZEENVNPFXWWXLE-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.03
Rot. Bonds5

About N,N-diethyl-4-(methylsulfanylmethyl)benzamide

N,N-diethyl-4-(methylsulfanylmethyl)benzamide (PubChem CID 60635900) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N-diethyl-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(methylsulfanylmethyl)benzamide
PubChem CID60635900
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN,N-diethyl-4-(methylsulfanylmethyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(CSC)cc1
InChIInChI=1S/C13H19NOS/c1-4-14(5-2)13(15)12-8-6-11(7-9-12)10-16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyZEENVNPFXWWXLE-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(diethylcarbamoyl)phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N,N-diethylbenzamide
CID 142281085
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
4-butyl-N,N-diethylbenzamide
CID 60675001
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
methyl 3-[2-methylpropyl-[4-(methylsulfanylmethyl)benzoyl]amino]propanoate
CID 87009581
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)carbamoyl]phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N-(2-hydroxyethyl)benzamide
CID 101374122
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N,N-diethyl-4-(methylsulfanylmethyl)benzamide (CID 60635900) is N,N-diethyl-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N,N-diethyl-4-(methylsulfanylmethyl)benzamide is CCN(CC)C(=O)c1ccc(CSC)cc1.
What is the InChIKey of N,N-diethyl-4-(methylsulfanylmethyl)benzamide?
The InChIKey is ZEENVNPFXWWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-14(5-2)13(15)12-8-6-11(7-9-12)10-16-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-4-(methylsulfanylmethyl)benzamide?
N,N-diethyl-4-(methylsulfanylmethyl)benzamide has a molecular weight of 237.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 60635900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).