N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide

C19H23FN2O2S — CID 55908417

IUPACN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCN(C)c2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-22(18-7-4-3-6-17(18)20)13-5-12-21-19(23)14-25-16-10-8-15(24-2)9-11-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,23)
InChIKeyLKRMRNRFZLTARB-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.57
Rot. Bonds9

About N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 55908417) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID55908417
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCN(C)c2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-22(18-7-4-3-6-17(18)20)13-5-12-21-19(23)14-25-16-10-8-15(24-2)9-11-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,23)
InChIKeyLKRMRNRFZLTARB-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30278199
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278169
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 55908417) is N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCCCN(C)c2ccccc2F)cc1.
What is the InChIKey of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is LKRMRNRFZLTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-22(18-7-4-3-6-17(18)20)13-5-12-21-19(23)14-25-16-10-8-15(24-2)9-11-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 362.47 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 55908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).