N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide

C14H22N2O2S — CID 107511321

IUPACN-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
SMILESCCNC(COC)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-15-13(9-18-3)10-19-14-7-5-12(6-8-14)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyOZKHMFKIQFZDKB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.36
Rot. Bonds8

About N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide

N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide (PubChem CID 107511321) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
PubChem CID107511321
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
SMILESCCNC(COC)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-15-13(9-18-3)10-19-14-7-5-12(6-8-14)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyOZKHMFKIQFZDKB-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
CID 107511428
N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide
CID 64649556
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548776

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide (CID 107511321) is N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide is CCNC(COC)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide?
The InChIKey is OZKHMFKIQFZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-15-13(9-18-3)10-19-14-7-5-12(6-8-14)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide?
N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 107511321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).