N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide

C12H17NO3S — CID 78855550

IUPACN-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
SMILESCCN(CCO)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-3-13(8-9-14)12(15)10-4-6-11(7-5-10)17(2)16/h4-7,14H,3,8-9H2,1-2H3
InChIKeyZNOUUBVRXQNECZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.88
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide

N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide (PubChem CID 78855550) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
PubChem CID78855550
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
SMILESCCN(CCO)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-3-13(8-9-14)12(15)10-4-6-11(7-5-10)17(2)16/h4-7,14H,3,8-9H2,1-2H3
InChIKeyZNOUUBVRXQNECZ-UHFFFAOYSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
N-ethyl-N-(2-hydroxyethyl)-4-(1,3-thiazol-4-yl)benzamide
CID 109468370
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680
N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)carbamoyl]phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N-(2-hydroxyethyl)benzamide
CID 101374122
N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 97237392
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 115769350
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide (CID 78855550) is N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide is CCN(CCO)C(=O)c1ccc(S(C)=O)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide?
The InChIKey is ZNOUUBVRXQNECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-13(8-9-14)12(15)10-4-6-11(7-5-10)17(2)16/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide?
N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide has a molecular weight of 255.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 78855550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).