N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide

C17H23FN2O3S — CID 164629373

IUPACN-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H23FN2O3S/c1-13(21)19(15-8-9-15)11-16-6-4-10-20(16)24(22,23)12-14-5-2-3-7-17(14)18/h2-3,5,7,15-16H,4,6,8-12H2,1H3/t16-/m1/s1
InChIKeyGKWYQUOSUCKXRR-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds6

About N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 164629373) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID164629373
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H23FN2O3S/c1-13(21)19(15-8-9-15)11-16-6-4-10-20(16)24(22,23)12-14-5-2-3-7-17(14)18/h2-3,5,7,15-16H,4,6,8-12H2,1H3/t16-/m1/s1
InChIKeyGKWYQUOSUCKXRR-MRXNPFEDSA-N
XLogP2.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide (CID 164629373) is N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is GKWYQUOSUCKXRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-13(21)19(15-8-9-15)11-16-6-4-10-20(16)24(22,23)12-14-5-2-3-7-17(14)18/h2-3,5,7,15-16H,4,6,8-12H2,1H3/t16-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 164629373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).