N-(3-phenylpropyl)-2-phenylsulfanylacetamide

C17H19NOS — CID 2098867

IUPACN-(3-phenylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(14-20-16-11-5-2-6-12-16)18-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2,(H,18,19)
InChIKeyVVFRPBLSMPMMIV-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.53
Rot. Bonds7

About N-(3-phenylpropyl)-2-phenylsulfanylacetamide

N-(3-phenylpropyl)-2-phenylsulfanylacetamide (PubChem CID 2098867) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-phenylsulfanylacetamide
PubChem CID2098867
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(3-phenylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(14-20-16-11-5-2-6-12-16)18-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2,(H,18,19)
InChIKeyVVFRPBLSMPMMIV-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitrophenyl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 26518310
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
CID 90126046
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 106679306
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-phenylpropyl)-2-phenylsulfanylacetamide (CID 2098867) is N-(3-phenylpropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-phenylsulfanylacetamide?
The InChIKey is VVFRPBLSMPMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(14-20-16-11-5-2-6-12-16)18-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2,(H,18,19).
What are the key properties of N-(3-phenylpropyl)-2-phenylsulfanylacetamide?
N-(3-phenylpropyl)-2-phenylsulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2098867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).