(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide

C32H46N2O7S — CID 176798626

IUPAC(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide
SMILESCN(CC(=O)c1ccccc1)NC(=O)[C@](C)(CCCC(C)(C)CS(=O)(=O)CCO)c1cccc([C@@H]2COC(C)(C)O2)c1
InChIInChI=1S/C32H46N2O7S/c1-30(2,23-42(38,39)19-18-35)16-11-17-32(5,26-15-10-14-25(20-26)28-22-40-31(3,4)41-28)29(37)33-34(6)21-27(36)24-12-8-7-9-13-24/h7-10,12-15,20,28,35H,11,16-19,21-23H2,1-6H3,(H,33,37)/t28-,32+/m0/s1
InChIKeyNEEZXUFEJTXMLX-GMCHKSTQSA-N
MW602.79 g/mol
LogP4.22
Rot. Bonds15

About (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide

(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide (PubChem CID 176798626) has the molecular formula C32H46N2O7S and a molecular weight of 602.79 g/mol. Its IUPAC name is (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide.

Molecular Properties

Compound Name(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide
PubChem CID176798626
Molecular FormulaC32H46N2O7S
Molecular Weight602.79 g/mol
Exact Mass602.30
IUPAC Name(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide
SMILESCN(CC(=O)c1ccccc1)NC(=O)[C@](C)(CCCC(C)(C)CS(=O)(=O)CCO)c1cccc([C@@H]2COC(C)(C)O2)c1
InChIInChI=1S/C32H46N2O7S/c1-30(2,23-42(38,39)19-18-35)16-11-17-32(5,26-15-10-14-25(20-26)28-22-40-31(3,4)41-28)29(37)33-34(6)21-27(36)24-12-8-7-9-13-24/h7-10,12-15,20,28,35H,11,16-19,21-23H2,1-6H3,(H,33,37)/t28-,32+/m0/s1
InChIKeyNEEZXUFEJTXMLX-GMCHKSTQSA-N
XLogP4.22
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.79
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide?
The IUPAC name of (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) is (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide.
What is the SMILES notation for (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide?
The canonical SMILES for (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide is CN(CC(=O)c1ccccc1)NC(=O)[C@](C)(CCCC(C)(C)CS(=O)(=O)CCO)c1cccc([C@@H]2COC(C)(C)O2)c1.
What is the InChIKey of (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide?
The InChIKey is NEEZXUFEJTXMLX-GMCHKSTQSA-N. The full InChI is InChI=1S/C32H46N2O7S/c1-30(2,23-42(38,39)19-18-35)16-11-17-32(5,26-15-10-14-25(20-26)28-22-40-31(3,4)41-28)29(37)33-34(6)21-27(36)24-12-8-7-9-13-24/h7-10,12-15,20,28,35H,11,16-19,21-23H2,1-6H3,(H,33,37)/t28-,32+/m0/s1.
What are the key properties of (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide?
(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide has a molecular weight of 602.79 g/mol, XLogP of 4.22, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethyl-N'-phenacylheptanehydrazide is sourced from PubChem (CID 176798626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).