(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

C26H32N4O3S — CID 10184339

IUPAC(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NC2CCc3ccccc32)cc1)NC[C@H](O)c1cccnc1
InChIInChI=1S/C26H32N4O3S/c1-26(2,28-18-25(31)21-7-5-15-27-17-21)16-19-9-12-22(13-10-19)29-34(32,33)30-24-14-11-20-6-3-4-8-23(20)24/h3-10,12-13,15,17,24-25,28-31H,11,14,16,18H2,1-2H3/t24?,25-/m0/s1
InChIKeyHBRMRWVETYGKFM-BBMPLOMVSA-N
MW480.63 g/mol
LogP3.66
Rot. Bonds10

About (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol

(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (PubChem CID 10184339) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
PubChem CID10184339
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCC(C)(Cc1ccc(NS(=O)(=O)NC2CCc3ccccc32)cc1)NC[C@H](O)c1cccnc1
InChIInChI=1S/C26H32N4O3S/c1-26(2,28-18-25(31)21-7-5-15-27-17-21)16-19-9-12-22(13-10-19)29-34(32,33)30-24-14-11-20-6-3-4-8-23(20)24/h3-10,12-13,15,17,24-25,28-31H,11,14,16,18H2,1-2H3/t24?,25-/m0/s1
InChIKeyHBRMRWVETYGKFM-BBMPLOMVSA-N
XLogP3.66
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)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-[(1-benzylpiperidin-4-yl)sulfamoylamino]phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 10209006
2-[[1-[4-(cyclohexylmethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol
CID 22326558
(1R)-2-[[1-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261521
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
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 10279208
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide
CID 124514745
4-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
CID 12017015

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol (CID 10184339) is (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is CC(C)(Cc1ccc(NS(=O)(=O)NC2CCc3ccccc32)cc1)NC[C@H](O)c1cccnc1.
What is the InChIKey of (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
The InChIKey is HBRMRWVETYGKFM-BBMPLOMVSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-26(2,28-18-25(31)21-7-5-15-27-17-21)16-19-9-12-22(13-10-19)29-34(32,33)30-24-14-11-20-6-3-4-8-23(20)24/h3-10,12-13,15,17,24-25,28-31H,11,14,16,18H2,1-2H3/t24?,25-/m0/s1.
What are the key properties of (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol?
(1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol has a molecular weight of 480.63 g/mol, XLogP of 3.66, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[1-[4-(2,3-dihydro-1H-inden-1-ylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10184339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).