N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide

C15H22N2OS — CID 103068039

IUPACN-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide
SMILESC=C(CNCCC)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2OS/c1-4-9-16-10-12(2)11-19-15-7-5-14(6-8-15)17-13(3)18/h5-8,16H,2,4,9-11H2,1,3H3,(H,17,18)
InChIKeyRYPLSWKRKOLCFF-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.29
Rot. Bonds8

About N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide

N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide (PubChem CID 103068039) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide
PubChem CID103068039
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide
SMILESC=C(CNCCC)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2OS/c1-4-9-16-10-12(2)11-19-15-7-5-14(6-8-15)17-13(3)18/h5-8,16H,2,4,9-11H2,1,3H3,(H,17,18)
InChIKeyRYPLSWKRKOLCFF-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
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potassium 2-(4-acetamidophenyl)sulfanylacetate
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2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
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N-(4-fluorophenyl)-2-(propylamino)acetamide
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N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
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2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
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N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
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N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide (CID 103068039) is N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide is C=C(CNCCC)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide?
The InChIKey is RYPLSWKRKOLCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-9-16-10-12(2)11-19-15-7-5-14(6-8-15)17-13(3)18/h5-8,16H,2,4,9-11H2,1,3H3,(H,17,18).
What are the key properties of N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide?
N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 103068039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).