N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide

C24H41N3O5S2 — CID 18713899

IUPACN-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(O)(c2ccc(CCNS(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C24H41N3O5S2/c1-19(2)33(29,30)26-18-20(3)22-10-13-24(28,14-11-22)23-8-6-21(7-9-23)12-15-25-34(31,32)27-16-4-5-17-27/h6-9,19-20,22,25-26,28H,4-5,10-18H2,1-3H3
InChIKeyIVYDNDBLSOGELL-UHFFFAOYSA-N
MW515.74 g/mol
LogP2.50
Rot. Bonds11

About N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide

N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide (PubChem CID 18713899) has the molecular formula C24H41N3O5S2 and a molecular weight of 515.74 g/mol. Its IUPAC name is N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
PubChem CID18713899
Molecular FormulaC24H41N3O5S2
Molecular Weight515.74 g/mol
Exact Mass515.25
IUPAC NameN-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(O)(c2ccc(CCNS(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C24H41N3O5S2/c1-19(2)33(29,30)26-18-20(3)22-10-13-24(28,14-11-22)23-8-6-21(7-9-23)12-15-25-34(31,32)27-16-4-5-17-27/h6-9,19-20,22,25-26,28H,4-5,10-18H2,1-3H3
InChIKeyIVYDNDBLSOGELL-UHFFFAOYSA-N
XLogP2.50
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.74
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18714018
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60913226

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide (CID 18713899) is N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(O)(c2ccc(CCNS(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is IVYDNDBLSOGELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O5S2/c1-19(2)33(29,30)26-18-20(3)22-10-13-24(28,14-11-22)23-8-6-21(7-9-23)12-15-25-34(31,32)27-16-4-5-17-27/h6-9,19-20,22,25-26,28H,4-5,10-18H2,1-3H3.
What are the key properties of N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide?
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 515.74 g/mol, XLogP of 2.50, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 18713899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).