N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide

C14H21NO2S — CID 60656648

IUPACN-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(CSC)cc1
InChIInChI=1S/C14H21NO2S/c1-3-8-15(9-10-16)14(17)13-6-4-12(5-7-13)11-18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyAOXGAUWGFXRAGI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.39
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide

N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide (PubChem CID 60656648) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
PubChem CID60656648
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(CSC)cc1
InChIInChI=1S/C14H21NO2S/c1-3-8-15(9-10-16)14(17)13-6-4-12(5-7-13)11-18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyAOXGAUWGFXRAGI-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
CID 60682129
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)carbamoyl]phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N-(2-hydroxyethyl)benzamide
CID 101374122
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide (CID 60656648) is N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(CSC)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide?
The InChIKey is AOXGAUWGFXRAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-8-15(9-10-16)14(17)13-6-4-12(5-7-13)11-18-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide?
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide is sourced from PubChem (CID 60656648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).