2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide

C14H22N2O2S — CID 115669636

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C14H22N2O2S/c1-3-16(9-6-10-17)11-14(18)15-12-7-4-5-8-13(12)19-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,15,18)
InChIKeyURIIZJIORFXTHG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.05
Rot. Bonds8

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 115669636) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID115669636
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C14H22N2O2S/c1-3-16(9-6-10-17)11-14(18)15-12-7-4-5-8-13(12)19-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,15,18)
InChIKeyURIIZJIORFXTHG-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide (CID 115669636) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide is CCN(CCCO)CC(=O)Nc1ccccc1SC.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is URIIZJIORFXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16(9-6-10-17)11-14(18)15-12-7-4-5-8-13(12)19-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 115669636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).