N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H16FNO2S — CID 114262457

IUPACN-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOc1cc(F)cc(NC(=O)CC2(CS)CC2)c1
InChIInChI=1S/C13H16FNO2S/c1-17-11-5-9(14)4-10(6-11)15-12(16)7-13(8-18)2-3-13/h4-6,18H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyOLOARQCKGRLZBZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.87
Rot. Bonds5

About N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 114262457) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID114262457
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOc1cc(F)cc(NC(=O)CC2(CS)CC2)c1
InChIInChI=1S/C13H16FNO2S/c1-17-11-5-9(14)4-10(6-11)15-12(16)7-13(8-18)2-3-13/h4-6,18H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyOLOARQCKGRLZBZ-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.87
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-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
CID 113411988
N-(3-bromo-4-fluorophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034985
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 107020504
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107590325
4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 114263126
N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107022124
N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029422

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 114262457) is N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is COc1cc(F)cc(NC(=O)CC2(CS)CC2)c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is OLOARQCKGRLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-17-11-5-9(14)4-10(6-11)15-12(16)7-13(8-18)2-3-13/h4-6,18H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 114262457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).