N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide

C11H12FNOS — CID 4437853

IUPAC2-(4-fluorophenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC1=CC=C(C=C1)F
InChIInChI=1S/C11H12FNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyMKNRWMAPXAVCIX-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.50
Rot. Bonds5

About N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide

N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide (PubChem CID 4437853) has the molecular formula C11H12FNOS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide
PubChem CID4437853
Molecular FormulaC11H12FNOS
Molecular Weight225.28 g/mol
Exact Mass225.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC1=CC=C(C=C1)F
InChIInChI=1S/C11H12FNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyMKNRWMAPXAVCIX-UHFFFAOYSA-N
XLogP2.50
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-cycloheptyl-2-(phenylsulfanyl)acetamide
CID 2915329
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4794340

Frequently Asked Questions

What is the IUPAC name of N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide?
The IUPAC name of N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide (CID 4437853) is 2-(4-fluorophenyl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide?
The canonical SMILES for N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide is C=CCNC(=O)CSC1=CC=C(C=C1)F.
What is the InChIKey of N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide?
The InChIKey is MKNRWMAPXAVCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide?
N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide has a molecular weight of 225.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide is sourced from PubChem (CID 4437853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).