5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide

C27H34N2O4S — CID 57269617

IUPAC5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1C(Cc1ccccc1)CC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C27H34N2O4S/c1-19-13-14-22(17-27(19)34(28,31)32)25(30)18-29-20(2)15-23(16-21-9-5-4-6-10-21)24-11-7-8-12-26(24)33-3/h4-14,17,20,23,25,29-30H,15-16,18H2,1-3H3,(H2,28,31,32)
InChIKeyUIRLBQDBAAKIMY-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.08
Rot. Bonds11

About 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide

5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide (PubChem CID 57269617) has the molecular formula C27H34N2O4S and a molecular weight of 482.65 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
PubChem CID57269617
Molecular FormulaC27H34N2O4S
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC Name5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1C(Cc1ccccc1)CC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C27H34N2O4S/c1-19-13-14-22(17-27(19)34(28,31)32)25(30)18-29-20(2)15-23(16-21-9-5-4-6-10-21)24-11-7-8-12-26(24)33-3/h4-14,17,20,23,25,29-30H,15-16,18H2,1-3H3,(H2,28,31,32)
InChIKeyUIRLBQDBAAKIMY-UHFFFAOYSA-N
XLogP4.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347187
5-[3-amino-1-hydroxy-4-(2-methoxyphenoxy)butyl]-2-methylbenzenesulfonamide;hydrochloride
CID 70494607
5-[1-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)butan-2-ylamino]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 23347178
4-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 23615563
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
N-[5-[(1R)-2-[[1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 90718334
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22852732
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303
2-(diethylamino)-5-[1-hydroxy-2-[1-(N-methylanilino)propan-2-ylamino]ethyl]benzenesulfonamide
CID 54288906

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide (CID 57269617) is 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide is COc1ccccc1C(Cc1ccccc1)CC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is UIRLBQDBAAKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4S/c1-19-13-14-22(17-27(19)34(28,31)32)25(30)18-29-20(2)15-23(16-21-9-5-4-6-10-21)24-11-7-8-12-26(24)33-3/h4-14,17,20,23,25,29-30H,15-16,18H2,1-3H3,(H2,28,31,32).
What are the key properties of 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 4.08, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 57269617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).