N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

C17H20N2O2S — CID 110890200

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-19(10-11-20)17(21)15-5-7-16(8-6-15)22-13-14-4-3-9-18-12-14/h3-9,12,20H,2,10-11,13H2,1H3
InChIKeyZZYHBTZGXQWNHB-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (PubChem CID 110890200) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
PubChem CID110890200
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-19(10-11-20)17(21)15-5-7-16(8-6-15)22-13-14-4-3-9-18-12-14/h3-9,12,20H,2,10-11,13H2,1H3
InChIKeyZZYHBTZGXQWNHB-UHFFFAOYSA-N
XLogP2.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-methyl-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 86963212
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)carbamoyl]phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N-(2-hydroxyethyl)benzamide
CID 101374122
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (CID 110890200) is N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is CCN(CCO)C(=O)c1ccc(SCc2cccnc2)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The InChIKey is ZZYHBTZGXQWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-19(10-11-20)17(21)15-5-7-16(8-6-15)22-13-14-4-3-9-18-12-14/h3-9,12,20H,2,10-11,13H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide has a molecular weight of 316.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 110890200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).