N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide

C19H19FN2OS — CID 90552237

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCN(C)c1ccccc1C#CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H19FN2OS/c1-22(2)18-8-4-3-6-15(18)7-5-13-21-19(23)14-24-17-11-9-16(20)10-12-17/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyKIANKEFOOYJYMB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 90552237) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID90552237
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCN(C)c1ccccc1C#CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H19FN2OS/c1-22(2)18-8-4-3-6-15(18)7-5-13-21-19(23)14-24-17-11-9-16(20)10-12-17/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyKIANKEFOOYJYMB-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
CID 90549331
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
CID 90552168
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 71803695
2-(4-fluorophenyl)sulfanyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]acetamide
CID 90576981
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
CID 90552148
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-phenylpropyl)urea
CID 90554436

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 90552237) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide is CN(C)c1ccccc1C#CCNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is KIANKEFOOYJYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-22(2)18-8-4-3-6-15(18)7-5-13-21-19(23)14-24-17-11-9-16(20)10-12-17/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 342.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 90552237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).