azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

C18H26N2O4S — CID 6473265

IUPACazepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O4S/c1-15-6-7-16(25(22,23)20-10-12-24-13-11-20)14-17(15)18(21)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyUOWQQFNSCNIPAV-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.03
Rot. Bonds3

About azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 6473265) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID6473265
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameazepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O4S/c1-15-6-7-16(25(22,23)20-10-12-24-13-11-20)14-17(15)18(21)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyUOWQQFNSCNIPAV-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone (CID 6473265) is azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is UOWQQFNSCNIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-15-6-7-16(25(22,23)20-10-12-24-13-11-20)14-17(15)18(21)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3.
What are the key properties of azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone?
azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 366.48 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 6473265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).