N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide

C20H26N2O4S — CID 8614236

IUPACN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-14(2)17-7-10-19(11-8-17)27(24,25)22-21-20(23)13-26-18-9-6-15(3)16(4)12-18/h6-12,14,22H,5,13H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyOVXXHFFKGQTXOQ-CQSZACIVSA-N
MW390.51 g/mol
LogP3.21
Rot. Bonds8

About N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide

N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide (PubChem CID 8614236) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
PubChem CID8614236
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-14(2)17-7-10-19(11-8-17)27(24,25)22-21-20(23)13-26-18-9-6-15(3)16(4)12-18/h6-12,14,22H,5,13H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyOVXXHFFKGQTXOQ-CQSZACIVSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
N'-(3-cyanophenyl)sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614258
2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9243979
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide (CID 8614236) is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide is CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
The InChIKey is OVXXHFFKGQTXOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-14(2)17-7-10-19(11-8-17)27(24,25)22-21-20(23)13-26-18-9-6-15(3)16(4)12-18/h6-12,14,22H,5,13H2,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide?
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide has a molecular weight of 390.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 8614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).