(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide

C22H38N2O4S — CID 174263551

IUPAC(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide
SMILESCCCc1cccc([C@@](C)(CCCC(C)(C)CS(=O)(=O)CCO)C(=O)NNC)c1
InChIInChI=1S/C22H38N2O4S/c1-6-9-18-10-7-11-19(16-18)22(4,20(26)24-23-5)13-8-12-21(2,3)17-29(27,28)15-14-25/h7,10-11,16,23,25H,6,8-9,12-15,17H2,1-5H3,(H,24,26)/t22-/m1/s1
InChIKeyBPUPXTYXJIOUSN-JOCHJYFZSA-N
MW426.62 g/mol
LogP2.75
Rot. Bonds13

About (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide

(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide (PubChem CID 174263551) has the molecular formula C22H38N2O4S and a molecular weight of 426.62 g/mol. Its IUPAC name is (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide.

Molecular Properties

Compound Name(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide
PubChem CID174263551
Molecular FormulaC22H38N2O4S
Molecular Weight426.62 g/mol
Exact Mass426.26
IUPAC Name(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide
SMILESCCCc1cccc([C@@](C)(CCCC(C)(C)CS(=O)(=O)CCO)C(=O)NNC)c1
InChIInChI=1S/C22H38N2O4S/c1-6-9-18-10-7-11-19(16-18)22(4,20(26)24-23-5)13-8-12-21(2,3)17-29(27,28)15-14-25/h7,10-11,16,23,25H,6,8-9,12-15,17H2,1-5H3,(H,24,26)/t22-/m1/s1
InChIKeyBPUPXTYXJIOUSN-JOCHJYFZSA-N
XLogP2.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.62
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-[7-(2-hydroxyethylsulfonyl)-2,6,6-trimethyl-1-(2-methylhydrazinyl)-1-oxoheptan-2-yl]phenyl]-2-methylpropanoate
CID 171076768
2-(3-bromophenyl)-3-[3-(2-hydroxyethylsulfonyl)-2,2-dimethylpropoxy]-N',2-dimethylpropanehydrazide
CID 171077098
ethyl 2-[3-[7-(2-ethoxy-2-oxoethyl)sulfanyl-2,6,6-trimethyl-1-(2-methylhydrazinyl)-1-oxoheptan-2-yl]phenyl]acetate
CID 171076297
2-[3-(2-ethoxy-2-oxoethyl)phenyl]-7-(2-ethoxy-2-oxoethyl)sulfonyl-2,6,6-trimethylheptanoic acid
CID 174260329
2-[3-(3-ethoxy-3-oxopropyl)phenyl]-5,5-difluoro-7-(2-hydroxyethylsulfonyl)-2,6,6-trimethylheptanoic acid
CID 171076151
7-[2-[tert-butyl(diphenyl)silyl]oxyethylsulfonyl]-2-[3-(4-methoxy-3-methyl-4-oxobutyl)phenyl]-2,6,6-trimethylheptanoic acid
CID 171077891
(2R)-7-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-2-[3-[(2R)-2-hydroxypropyl]phenyl]-2,6,6-trimethylheptanoic acid
CID 174263873
N',2,7,7-tetramethyl-2-(3-methylphenyl)non-8-ynehydrazide
CID 171078875
7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanehydrazide
CID 171078472
methyl 7-hydroxy-2,6,6-trimethyl-2-(3-methylphenyl)heptanoate
CID 171078360
(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide
CID 176798626
benzyl 2-[3-(3-ethoxy-3-oxopropyl)phenyl]-8-hydroxy-2,7,7-trimethyloctanoate
CID 171077411

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide?
The IUPAC name of (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide (CID 174263551) is (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide.
What is the SMILES notation for (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide?
The canonical SMILES for (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide is CCCc1cccc([C@@](C)(CCCC(C)(C)CS(=O)(=O)CCO)C(=O)NNC)c1.
What is the InChIKey of (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide?
The InChIKey is BPUPXTYXJIOUSN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H38N2O4S/c1-6-9-18-10-7-11-19(16-18)22(4,20(26)24-23-5)13-8-12-21(2,3)17-29(27,28)15-14-25/h7,10-11,16,23,25H,6,8-9,12-15,17H2,1-5H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide?
(2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide has a molecular weight of 426.62 g/mol, XLogP of 2.75, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-2-(3-propylphenyl)heptanehydrazide is sourced from PubChem (CID 174263551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).