2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide

C14H21FN2OS — CID 66229426

IUPAC2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCCC(N)CSCC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-3-13(16)8-19-9-14(18)17-10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyNQQFZFANWSYZEC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.47
Rot. Bonds7

About 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 66229426) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID66229426
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCCC(N)CSCC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c1-3-13(16)8-19-9-14(18)17-10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18)
InChIKeyNQQFZFANWSYZEC-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81228466
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 47005981
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 66229426) is 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is CCC(N)CSCC(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NQQFZFANWSYZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-3-13(16)8-19-9-14(18)17-10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 66229426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).