1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

C18H26N2O4S — CID 110796362

IUPAC1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O4S/c1-15(21)19-11-4-12-20(14-13-19)25(22,23)18-9-7-17(8-10-18)24-16-5-2-3-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyVQMOQMVSDXGLRS-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.25
Rot. Bonds4

About 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone (PubChem CID 110796362) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
PubChem CID110796362
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H26N2O4S/c1-15(21)19-11-4-12-20(14-13-19)25(22,23)18-9-7-17(8-10-18)24-16-5-2-3-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyVQMOQMVSDXGLRS-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
1-[4-[4-(bromomethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone
CID 65482014
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone (CID 110796362) is 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone?
The InChIKey is VQMOQMVSDXGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-15(21)19-11-4-12-20(14-13-19)25(22,23)18-9-7-17(8-10-18)24-16-5-2-3-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone?
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone has a molecular weight of 366.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 110796362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).