2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

C15H22FN3O2S — CID 4282411

IUPAC2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C15H22FN3O2S/c1-11(20)18-14(15(21)17-8-9-19(2)3)10-22-13-6-4-12(16)5-7-13/h4-7,14H,8-10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyJCPPSPFTXNJATN-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.10
Rot. Bonds8

About 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 4282411) has the molecular formula C15H22FN3O2S and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID4282411
Molecular FormulaC15H22FN3O2S
Molecular Weight327.43 g/mol
Exact Mass327.14
IUPAC Name2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C15H22FN3O2S/c1-11(20)18-14(15(21)17-8-9-19(2)3)10-22-13-6-4-12(16)5-7-13/h4-7,14H,8-10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyJCPPSPFTXNJATN-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 4282411) is 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN(C)C.
What is the InChIKey of 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is JCPPSPFTXNJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2S/c1-11(20)18-14(15(21)17-8-9-19(2)3)10-22-13-6-4-12(16)5-7-13/h4-7,14H,8-10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 327.43 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 4282411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).