N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide

C18H18FNO3S — CID 99842975

IUPACN-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1F)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H18FNO3S/c19-15-8-4-5-9-16(15)24(22,23)12-17(21)20-18(14-10-11-14)13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,20,21)/t18-/m0/s1
InChIKeyOTHVZYIBJKKEAL-SFHVURJKSA-N
MW347.41 g/mol
LogP2.87
Rot. Bonds6

About N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide

N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide (PubChem CID 99842975) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
PubChem CID99842975
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1F)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H18FNO3S/c19-15-8-4-5-9-16(15)24(22,23)12-17(21)20-18(14-10-11-14)13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,20,21)/t18-/m0/s1
InChIKeyOTHVZYIBJKKEAL-SFHVURJKSA-N
XLogP2.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 18131654
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55690179
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
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2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[cyclopropyl(phenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86914718

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide (CID 99842975) is N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccccc1F)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide?
The InChIKey is OTHVZYIBJKKEAL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-15-8-4-5-9-16(15)24(22,23)12-17(21)20-18(14-10-11-14)13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,20,21)/t18-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide?
N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide has a molecular weight of 347.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 99842975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).