N-phenyl-N-propylsulfanylacetamide

C11H15NOS — CID 54548065

IUPACN-phenyl-N-propylsulfanylacetamide
SMILESCCCSN(C(C)=O)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyZHYSACCOYSPRON-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.10
Rot. Bonds4

About N-phenyl-N-propylsulfanylacetamide

N-phenyl-N-propylsulfanylacetamide (PubChem CID 54548065) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-phenyl-N-propylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-N-propylsulfanylacetamide
PubChem CID54548065
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-phenyl-N-propylsulfanylacetamide
SMILESCCCSN(C(C)=O)c1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyZHYSACCOYSPRON-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-phenyl-N-propylsulfanylprop-2-enamide
CID 20554137
N-hexylsulfanyl-N'-octylsulfanyl-N,N'-diphenyloxamide
CID 20554105
(N-acetylanilino)-ethyl-dihydroxyazanium
CID 54332623
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-hexyl-N-phenylacetamide
CID 13217997
S-[2-(N-ethylanilino)ethyl] ethanethioate
CID 141102271
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
CID 155277050
N'-phenyl-N'-propylacetohydrazide
CID 100919129
butane;1,1-diphenylurea
CID 70397101
N-(bromomethyl)-N-phenylacetamide
CID 67904201
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propylsulfanylacetamide?
The IUPAC name of N-phenyl-N-propylsulfanylacetamide (CID 54548065) is N-phenyl-N-propylsulfanylacetamide.
What is the SMILES notation for N-phenyl-N-propylsulfanylacetamide?
The canonical SMILES for N-phenyl-N-propylsulfanylacetamide is CCCSN(C(C)=O)c1ccccc1.
What is the InChIKey of N-phenyl-N-propylsulfanylacetamide?
The InChIKey is ZHYSACCOYSPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-9-14-12(10(2)13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of N-phenyl-N-propylsulfanylacetamide?
N-phenyl-N-propylsulfanylacetamide has a molecular weight of 209.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propylsulfanylacetamide is sourced from PubChem (CID 54548065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).