N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C13H16FNO3S — CID 5057865

IUPACN-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NC1CC1
InChIInChI=1S/C13H16FNO3S/c14-12-4-2-1-3-10(12)9-19(17,18)8-7-13(16)15-11-5-6-11/h1-4,11H,5-9H2,(H,15,16)
InChIKeyMNPAEHKQKWMRKM-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.41
Rot. Bonds6

About N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 5057865) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID5057865
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC NameN-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NC1CC1
InChIInChI=1S/C13H16FNO3S/c14-12-4-2-1-3-10(12)9-19(17,18)8-7-13(16)15-11-5-6-11/h1-4,11H,5-9H2,(H,15,16)
InChIKeyMNPAEHKQKWMRKM-UHFFFAOYSA-N
XLogP1.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(2-fluorophenyl)ethylsulfonylamino]acetamide
CID 110305291
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
CID 5177297
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
1-fluoro-2-(propylsulfonylmethyl)benzene
CID 18337004
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 134017008

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 5057865) is N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is MNPAEHKQKWMRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c14-12-4-2-1-3-10(12)9-19(17,18)8-7-13(16)15-11-5-6-11/h1-4,11H,5-9H2,(H,15,16).
What are the key properties of N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 285.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 5057865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).