N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide

C16H24N2O5S2 — CID 8842054

IUPACN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H24N2O5S2/c1-3-12(2)14-4-6-15(7-5-14)25(22,23)18-17-16(19)10-13-8-9-24(20,21)11-13/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyARXPYTYLWJMIHM-OLZOCXBDSA-N
MW388.51 g/mol
LogP1.33
Rot. Bonds7

About N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide

N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (PubChem CID 8842054) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
PubChem CID8842054
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H24N2O5S2/c1-3-12(2)14-4-6-15(7-5-14)25(22,23)18-17-16(19)10-13-8-9-24(20,21)11-13/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyARXPYTYLWJMIHM-OLZOCXBDSA-N
XLogP1.33
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide with MolForge

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8842048
2-[(3R)-1,1-dioxothiolan-3-yl]-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 7223056
2-(1,1-dioxothiolan-3-yl)-N'-[4-(3-methylbutyl)phenyl]sulfonylacetohydrazide
CID 55428858
N-cyclopropyl-4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]sulfamoyl]benzenesulfonamide
CID 42949070
N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842017
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9188283
N'-(2-chlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842103
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8938663
N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842075
(2S)-2-(4-chlorophenyl)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methylbutanehydrazide
CID 8939037
2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 124772164
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281062

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (CID 8842054) is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.
What is the SMILES notation for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The canonical SMILES for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The InChIKey is ARXPYTYLWJMIHM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-3-12(2)14-4-6-15(7-5-14)25(22,23)18-17-16(19)10-13-8-9-24(20,21)11-13/h4-7,12-13,18H,3,8-11H2,1-2H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide has a molecular weight of 388.51 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is sourced from PubChem (CID 8842054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).