2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C14H17FN2OS — CID 43304175

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H17FN2OS/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(15)9-12(13)16/h3-6,9H,1-2,7-8,10,16H2
InChIKeyPNEOJILDUNOBDC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.70
Rot. Bonds7

About 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 43304175) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID43304175
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H17FN2OS/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(15)9-12(13)16/h3-6,9H,1-2,7-8,10,16H2
InChIKeyPNEOJILDUNOBDC-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 43304175) is 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is PNEOJILDUNOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-7-17(8-4-2)14(18)10-19-13-6-5-11(15)9-12(13)16/h3-6,9H,1-2,7-8,10,16H2.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 43304175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).