2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

C14H21FN2O2S — CID 43303642

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-10(2)19-7-3-6-17-14(18)9-20-13-5-4-11(16)8-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyDGIHLQBSHPFCJB-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.43
Rot. Bonds8

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 43303642) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID43303642
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-10(2)19-7-3-6-17-14(18)9-20-13-5-4-11(16)8-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyDGIHLQBSHPFCJB-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 38009327
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303372
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79830616
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 15995874
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43303693
2-(2-nitrothiophen-3-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 46260511
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 51146548
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 24670123
4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149428

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (CID 43303642) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CSc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is DGIHLQBSHPFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10(2)19-7-3-6-17-14(18)9-20-13-5-4-11(16)8-12(13)15/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 43303642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).