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

C18H26N2O5S — CID 6471344

IUPACazepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O5S/c1-24-17-7-6-15(26(22,23)20-10-12-25-13-11-20)14-16(17)18(21)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyQEXGAANKSGAPKU-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.73
Rot. Bonds4

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

azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 6471344) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID6471344
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameazepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H26N2O5S/c1-24-17-7-6-15(26(22,23)20-10-12-25-13-11-20)14-16(17)18(21)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyQEXGAANKSGAPKU-UHFFFAOYSA-N
XLogP1.73
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone (CID 6471344) is azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QEXGAANKSGAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-24-17-7-6-15(26(22,23)20-10-12-25-13-11-20)14-16(17)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-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 6471344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).