N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

C14H21FN2OS — CID 119505771

IUPACN-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCCNCCNC(=O)C(C)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-3-16-8-9-17-14(18)11(2)10-19-13-6-4-12(15)5-7-13/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBAGAWPUVWNFWKP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.28
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (PubChem CID 119505771) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
PubChem CID119505771
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC NameN-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCCNCCNC(=O)C(C)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-3-16-8-9-17-14(18)11(2)10-19-13-6-4-12(15)5-7-13/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBAGAWPUVWNFWKP-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]propanoic acid
CID 119349017
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119606341
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 144981955
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
cis-(1R,3S)-3-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678506
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
CID 8733653
3-(4-fluorophenyl)sulfanyl-2-methyl-N-(3-methylpiperidin-4-yl)propanamide
CID 120555733

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (CID 119505771) is N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is CCNCCNC(=O)C(C)CSc1ccc(F)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The InChIKey is BAGAWPUVWNFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-3-16-8-9-17-14(18)11(2)10-19-13-6-4-12(15)5-7-13/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 119505771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).