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

C16H17FN2OS — CID 43093514

IUPACN-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(F)c(N)c2)cc1
InChIInChI=1S/C16H17FN2OS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-12-5-8-14(17)15(18)9-12/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWXNIPAYPVUEKTM-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 43093514) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID43093514
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(F)c(N)c2)cc1
InChIInChI=1S/C16H17FN2OS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-12-5-8-14(17)15(18)9-12/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWXNIPAYPVUEKTM-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 43093514) is N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccc(F)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is WXNIPAYPVUEKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-3-6-13(7-4-10)21-11(2)16(20)19-12-5-8-14(17)15(18)9-12/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 43093514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).