1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one

C16H22N2O4S — CID 110727956

IUPAC1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CCN1
InChIInChI=1S/C16H22N2O4S/c19-16-9-11-18(12-10-17-16)23(20,21)15-7-5-14(6-8-15)22-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,17,19)
InChIKeyFKIRNQXXJHVTAJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.52
Rot. Bonds4

About 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one

1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one (PubChem CID 110727956) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
PubChem CID110727956
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CCN1
InChIInChI=1S/C16H22N2O4S/c19-16-9-11-18(12-10-17-16)23(20,21)15-7-5-14(6-8-15)22-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,17,19)
InChIKeyFKIRNQXXJHVTAJ-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-5-one
CID 110727957
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
1-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709305
1-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709319
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one
CID 142635977
[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one (CID 110727956) is 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one is O=C1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CCN1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one?
The InChIKey is FKIRNQXXJHVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-16-9-11-18(12-10-17-16)23(20,21)15-7-5-14(6-8-15)22-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,17,19).
What are the key properties of 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one?
1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one has a molecular weight of 338.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one is sourced from PubChem (CID 110727956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).