1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide

C16H18FNO2S — CID 144540679

IUPAC1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)cc1.Cc1ccccc1F
InChIInChI=1S/C9H11NO2S.C7H7F/c1-12-8-4-2-7(3-5-8)10-9(11)6-13;1-6-4-2-3-5-7(6)8/h2-5,13H,6H2,1H3,(H,10,11);2-5H,1H3
InChIKeyQZXNRSRUUNXINH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.70
Rot. Bonds3

About 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide

1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide (PubChem CID 144540679) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
PubChem CID144540679
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)cc1.Cc1ccccc1F
InChIInChI=1S/C9H11NO2S.C7H7F/c1-12-8-4-2-7(3-5-8)10-9(11)6-13;1-6-4-2-3-5-7(6)8/h2-5,13H,6H2,1H3,(H,10,11);2-5H,1H3
InChIKeyQZXNRSRUUNXINH-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
CID 156880455
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
CID 57104342
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide
CID 17433816
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide?
The IUPAC name of 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide (CID 144540679) is 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide.
What is the SMILES notation for 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide?
The canonical SMILES for 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide is COc1ccc(NC(=O)CS)cc1.Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide?
The InChIKey is QZXNRSRUUNXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.C7H7F/c1-12-8-4-2-7(3-5-8)10-9(11)6-13;1-6-4-2-3-5-7(6)8/h2-5,13H,6H2,1H3,(H,10,11);2-5H,1H3.
What are the key properties of 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide?
1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide has a molecular weight of 307.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 144540679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).