2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

C24H36N4O3S — CID 22326558

IUPAC2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NCC2CCCCC2)cc1)NCC(O)c1cccnc1
InChIInChI=1S/C24H36N4O3S/c1-24(2,26-18-23(29)21-9-6-14-25-17-21)15-19-10-12-22(13-11-19)28-32(30,31)27-16-20-7-4-3-5-8-20/h6,9-14,17,20,23,26-29H,3-5,7-8,15-16,18H2,1-2H3
InChIKeyTWPATJHNISSANC-UHFFFAOYSA-N
MW460.64 g/mol
LogP3.55
Rot. Bonds11

About 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (PubChem CID 22326558) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
PubChem CID22326558
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC Name2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NCC2CCCCC2)cc1)NCC(O)c1cccnc1
InChIInChI=1S/C24H36N4O3S/c1-24(2,26-18-23(29)21-9-6-14-25-17-21)15-19-10-12-22(13-11-19)28-32(30,31)27-16-20-7-4-3-5-8-20/h6,9-14,17,20,23,26-29H,3-5,7-8,15-16,18H2,1-2H3
InChIKeyTWPATJHNISSANC-UHFFFAOYSA-N
XLogP3.55
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[[1-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261521
(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 10184339
(1R)-2-[[1-[4-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 10209006
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]-2-methylpropyl]phenyl]-4-phenylpiperidine-1-sulfonamide
CID 10301056
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]-2-methylpropyl]phenyl]piperazine-1-sulfonamide
CID 10181318
(1R)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261523
4-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
CID 12017015
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 10279208
4-[2-(3-cyclopentylpropyl)tetrazol-5-yl]-N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzenesulfonamide
CID 19420655
N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-(2-pentyl-1,3-thiazol-5-yl)benzenesulfonamide
CID 19420610
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (CID 22326558) is 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is CC(C)(Cc1ccc(NS(=O)(=O)NCC2CCCCC2)cc1)NCC(O)c1cccnc1.
What is the InChIKey of 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The InChIKey is TWPATJHNISSANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-24(2,26-18-23(29)21-9-6-14-25-17-21)15-19-10-12-22(13-11-19)28-32(30,31)27-16-20-7-4-3-5-8-20/h6,9-14,17,20,23,26-29H,3-5,7-8,15-16,18H2,1-2H3.
What are the key properties of 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol has a molecular weight of 460.64 g/mol, XLogP of 3.55, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 22326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).