N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide

C15H20FNO3S — CID 96539492

IUPACN-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
SMILESC[C@@H](CS(C)(=O)=O)N(C(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H20FNO3S/c1-11(10-21(2,19)20)17(13-7-8-13)15(18)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyIWBXJDLSOJFAEX-NSHDSACASA-N
MW313.39 g/mol
LogP1.79
Rot. Bonds6

About N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide

N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide (PubChem CID 96539492) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
PubChem CID96539492
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
SMILESC[C@@H](CS(C)(=O)=O)N(C(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H20FNO3S/c1-11(10-21(2,19)20)17(13-7-8-13)15(18)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyIWBXJDLSOJFAEX-NSHDSACASA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
CID 111122684
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 119785652
N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 95333196
(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
CID 97095665
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119185209
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948
N-butan-2-yl-N-[(2-fluorophenyl)methyl]-2-methylsulfonylacetamide
CID 46989891
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide (CID 96539492) is N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide is C[C@@H](CS(C)(=O)=O)N(C(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide?
The InChIKey is IWBXJDLSOJFAEX-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-11(10-21(2,19)20)17(13-7-8-13)15(18)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide?
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide is sourced from PubChem (CID 96539492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).