N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

C16H21FN2O4S — CID 124783196

IUPACN-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]12
InChIInChI=1S/C16H21FN2O4S/c1-24(21,22)18-7-12-10-23-15-9-19(8-13(12)15)16(20)6-11-4-2-3-5-14(11)17/h2-5,12-13,15,18H,6-10H2,1H3/t12-,13-,15-/m1/s1
InChIKeyMPNAONHSRSQTAJ-UMVBOHGHSA-N
MW356.42 g/mol
LogP0.39
Rot. Bonds5

About N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide

N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (PubChem CID 124783196) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
PubChem CID124783196
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC NameN-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]12
InChIInChI=1S/C16H21FN2O4S/c1-24(21,22)18-7-12-10-23-15-9-19(8-13(12)15)16(20)6-11-4-2-3-5-14(11)17/h2-5,12-13,15,18H,6-10H2,1H3/t12-,13-,15-/m1/s1
InChIKeyMPNAONHSRSQTAJ-UMVBOHGHSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3aS,6aR)-5-(3-phenylpropanoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420563
N-[[(3aS,6aR)-5-[2-(2-fluorophenyl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420583
1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone
CID 97369185
1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-fluorophenyl)ethanone
CID 97369201
N-[[(3aS,6aR)-5-[2-(4-fluorophenyl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97476429
2-[(2S,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97485081
2-[(2R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486766
2-[(2S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486958
2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
CID 113066159
2-(2-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
CID 113066177
2-(3-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
CID 113066178
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137965

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide (CID 124783196) is N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]12.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
The InChIKey is MPNAONHSRSQTAJ-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-24(21,22)18-7-12-10-23-15-9-19(8-13(12)15)16(20)6-11-4-2-3-5-14(11)17/h2-5,12-13,15,18H,6-10H2,1H3/t12-,13-,15-/m1/s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide?
N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-[2-(2-fluorophenyl)acetyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124783196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).