4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene

C16H26N2O5S — CID 110629765

IUPAC4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H26N2O5S/c1-18(24(20,21)17-13-6-4-5-7-13)11-14(19)12-8-9-15(22-2)16(10-12)23-3/h8-10,13-14,17,19H,4-7,11H2,1-3H3
InChIKeyCQISDFGVZXKCKL-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.45
Rot. Bonds8

About 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene

4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene (PubChem CID 110629765) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
PubChem CID110629765
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H26N2O5S/c1-18(24(20,21)17-13-6-4-5-7-13)11-14(19)12-8-9-15(22-2)16(10-12)23-3/h8-10,13-14,17,19H,4-7,11H2,1-3H3
InChIKeyCQISDFGVZXKCKL-UHFFFAOYSA-N
XLogP1.45
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
CID 110291277
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethylbenzenesulfonamide
CID 110291307
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
CID 10518826
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110291304
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
CID 162405136

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene (CID 110629765) is 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene is COc1ccc(C(O)CN(C)S(=O)(=O)NC2CCCC2)cc1OC.
What is the InChIKey of 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene?
The InChIKey is CQISDFGVZXKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-18(24(20,21)17-13-6-4-5-7-13)11-14(19)12-8-9-15(22-2)16(10-12)23-3/h8-10,13-14,17,19H,4-7,11H2,1-3H3.
What are the key properties of 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene?
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene has a molecular weight of 358.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 110629765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).