1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

C25H40O3S — CID 159200457

IUPAC1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1
InChIInChI=1S/C25H40O3S/c1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3/h15-17,19-20,22,24H,4-14,18H2,1-3H3
InChIKeyDMOPPRDODTWXJO-UHFFFAOYSA-N
MW420.66 g/mol
LogP6.13
Rot. Bonds9

About 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (PubChem CID 159200457) has the molecular formula C25H40O3S and a molecular weight of 420.66 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
PubChem CID159200457
Molecular FormulaC25H40O3S
Molecular Weight420.66 g/mol
Exact Mass420.27
IUPAC Name1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1
InChIInChI=1S/C25H40O3S/c1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3/h15-17,19-20,22,24H,4-14,18H2,1-3H3
InChIKeyDMOPPRDODTWXJO-UHFFFAOYSA-N
XLogP6.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 160733134
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
(3R,5R)-3,5-dimethyl-1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine
CID 157456647
2-(4-cyclohexyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145256
(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine
CID 158176073
N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939912
1,3-difluoro-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159613987
2-[4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 158496312
N-[4-[(4-cyclopentyloxy-3-ethylanilino)-hydroxymethyl]cyclohexyl]propane-2-sulfonamide
CID 71168776

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (CID 159200457) is 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is CCc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The InChIKey is DMOPPRDODTWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O3S/c1-4-23-17-21(15-16-25(23)28-24-7-5-6-8-24)12-9-20-10-13-22(14-11-20)18-29(26,27)19(2)3/h15-17,19-20,22,24H,4-14,18H2,1-3H3.
What are the key properties of 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene has a molecular weight of 420.66 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 159200457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).