2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

C15H21FN2OS — CID 79140728

IUPAC2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-18(11-5-3-2-4-6-11)15(19)10-20-12-7-8-14(17)13(16)9-12/h7-9,11H,2-6,10,17H2,1H3
InChIKeyOCBCKWWHBGWRQP-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 79140728) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID79140728
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-18(11-5-3-2-4-6-11)15(19)10-20-12-7-8-14(17)13(16)9-12/h7-9,11H,2-6,10,17H2,1H3
InChIKeyOCBCKWWHBGWRQP-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79128124
2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 4001346
2-(4-amino-3-fluorophenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79130470
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
1-[2-(4-amino-3-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 79130465
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]prop-2-enoic acid
CID 79140636
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
2-(4-amino-3-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79141366

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 79140728) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1ccc(N)c(F)c1)C1CCCCC1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is OCBCKWWHBGWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-18(11-5-3-2-4-6-11)15(19)10-20-12-7-8-14(17)13(16)9-12/h7-9,11H,2-6,10,17H2,1H3.
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 296.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 79140728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).