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

C24H40N2O6S — CID 171077460

IUPAC(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide
SMILESCNNC(=O)[C@](C)(CCCC(C)(C)CS(=O)(=O)CCO)c1cccc([C@@H]2COC(C)(C)O2)c1
InChIInChI=1S/C24H40N2O6S/c1-22(2,17-33(29,30)14-13-27)11-8-12-24(5,21(28)26-25-6)19-10-7-9-18(15-19)20-16-31-23(3,4)32-20/h7,9-10,15,20,25,27H,8,11-14,16-17H2,1-6H3,(H,26,28)/t20-,24+/m0/s1
InChIKeyCNWVRJNLDXPORA-GBXCKJPGSA-N
MW484.66 g/mol
LogP2.62
Rot. Bonds12

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

(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide (PubChem CID 171077460) has the molecular formula C24H40N2O6S and a molecular weight of 484.66 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-tetramethylheptanehydrazide.

Molecular Properties

Compound Name(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide
PubChem CID171077460
Molecular FormulaC24H40N2O6S
Molecular Weight484.66 g/mol
Exact Mass484.26
IUPAC Name(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide
SMILESCNNC(=O)[C@](C)(CCCC(C)(C)CS(=O)(=O)CCO)c1cccc([C@@H]2COC(C)(C)O2)c1
InChIInChI=1S/C24H40N2O6S/c1-22(2,17-33(29,30)14-13-27)11-8-12-24(5,21(28)26-25-6)19-10-7-9-18(15-19)20-16-31-23(3,4)32-20/h7,9-10,15,20,25,27H,8,11-14,16-17H2,1-6H3,(H,26,28)/t20-,24+/m0/s1
InChIKeyCNWVRJNLDXPORA-GBXCKJPGSA-N
XLogP2.62
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-tetramethylheptanehydrazide?
The IUPAC name of (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide (CID 171077460) is (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide.
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-tetramethylheptanehydrazide?
The canonical SMILES for (2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide is CNNC(=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-tetramethylheptanehydrazide?
The InChIKey is CNWVRJNLDXPORA-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H40N2O6S/c1-22(2,17-33(29,30)14-13-27)11-8-12-24(5,21(28)26-25-6)19-10-7-9-18(15-19)20-16-31-23(3,4)32-20/h7,9-10,15,20,25,27H,8,11-14,16-17H2,1-6H3,(H,26,28)/t20-,24+/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-tetramethylheptanehydrazide?
(2R)-2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-7-(2-hydroxyethylsulfonyl)-N',2,6,6-tetramethylheptanehydrazide has a molecular weight of 484.66 g/mol, XLogP of 2.62, 12 rotatable bonds, 3 hydrogen bond donors, and 7 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-tetramethylheptanehydrazide is sourced from PubChem (CID 171077460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).