N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide

C13H19NO3S — CID 63934636

IUPACN-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
SMILESCCOCC(O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-17-8-12(16)9-18-13-6-4-11(5-7-13)14-10(2)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyOLIMLNMCQVAJEI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.13
Rot. Bonds7

About N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide

N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide (PubChem CID 63934636) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
PubChem CID63934636
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
SMILESCCOCC(O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-17-8-12(16)9-18-13-6-4-11(5-7-13)14-10(2)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyOLIMLNMCQVAJEI-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
CID 78661847
1-ethoxy-3-(4-propan-2-ylphenyl)sulfanylpropan-2-ol
CID 63933591
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
CID 107511321
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
CID 110885178

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide (CID 63934636) is N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide is CCOCC(O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The InChIKey is OLIMLNMCQVAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-17-8-12(16)9-18-13-6-4-11(5-7-13)14-10(2)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 63934636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).