N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide

C16H17FN2OS — CID 29034745

IUPACN-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCc1cc(N)ccc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-10-13(18)4-7-15(11)19-16(20)8-9-21-14-5-2-12(17)3-6-14/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyARMXIBFHSAWFCT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide

N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 29034745) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID29034745
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCc1cc(N)ccc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-10-13(18)4-7-15(11)19-16(20)8-9-21-14-5-2-12(17)3-6-14/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyARMXIBFHSAWFCT-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide 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

N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255596
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(4-amino-2-methylphenyl)propanamide
CID 839309
1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 51179265
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55916977

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 29034745) is N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide is Cc1cc(N)ccc1NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is ARMXIBFHSAWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-10-13(18)4-7-15(11)19-16(20)8-9-21-14-5-2-12(17)3-6-14/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 29034745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).