2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide

C15H19FN2O4S — CID 51946918

IUPAC2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1F)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H19FN2O4S/c16-12-6-2-1-5-11(12)9-23(21,22)10-14(19)18-13-7-3-4-8-17-15(13)20/h1-2,5-6,13H,3-4,7-10H2,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyONTXOHWKDQGPCH-ZDUSSCGKSA-N
MW342.39 g/mol
LogP0.53
Rot. Bonds5

About 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide

2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 51946918) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID51946918
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1F)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H19FN2O4S/c16-12-6-2-1-5-11(12)9-23(21,22)10-14(19)18-13-7-3-4-8-17-15(13)20/h1-2,5-6,13H,3-4,7-10H2,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyONTXOHWKDQGPCH-ZDUSSCGKSA-N
XLogP0.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 51946918) is 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide is O=C(CS(=O)(=O)Cc1ccccc1F)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is ONTXOHWKDQGPCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-6-2-1-5-11(12)9-23(21,22)10-14(19)18-13-7-3-4-8-17-15(13)20/h1-2,5-6,13H,3-4,7-10H2,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 342.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 51946918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).