N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide

C14H21NO2S — CID 60682129

IUPACN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H21NO2S/c1-3-7-15(8-9-16)14(17)13-6-4-5-12(10-13)11-18-2/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeyYRTLRYSJGJMKAR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.39
Rot. Bonds7

About N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide

N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide (PubChem CID 60682129) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
PubChem CID60682129
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H21NO2S/c1-3-7-15(8-9-16)14(17)13-6-4-5-12(10-13)11-18-2/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeyYRTLRYSJGJMKAR-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-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 60717294
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-chloro-N,N-dipropylbenzamide
CID 669182
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide (CID 60682129) is N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cccc(CSC)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide?
The InChIKey is YRTLRYSJGJMKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-7-15(8-9-16)14(17)13-6-4-5-12(10-13)11-18-2/h4-6,10,16H,3,7-9,11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide?
N-(2-hydroxyethyl)-3-(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)-3-(methylsulfanylmethyl)-N-propylbenzamide is sourced from PubChem (CID 60682129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).