N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide

C14H21NO2S — CID 107033812

IUPACN-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCOCCCNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-9-17-10-3-8-15-14(16)11-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,15,16)
InChIKeyYCYZOLXFZDAQDK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.45
Rot. Bonds8

About N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide

N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107033812) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107033812
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCOCCCNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-9-17-10-3-8-15-14(16)11-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,15,16)
InChIKeyYCYZOLXFZDAQDK-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107034090
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
N'-(3-propoxypropyl)butanediamide
CID 153375512
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide (CID 107033812) is N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide is CCCOCCCNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is YCYZOLXFZDAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-9-17-10-3-8-15-14(16)11-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,15,16).
What are the key properties of N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide?
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107033812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).