3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide

C19H21N3O7S — CID 18281670

IUPAC3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC
InChIInChI=1S/C19H21N3O7S/c1-3-8-28-16-6-4-12(9-17(16)27-2)19(24)21-22-30(25,26)13-5-7-15-14(10-13)20-18(23)11-29-15/h4-7,9-10,22H,3,8,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGTBZDYMIMOBHDI-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.44
Rot. Bonds8

About 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide

3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide (PubChem CID 18281670) has the molecular formula C19H21N3O7S and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
PubChem CID18281670
Molecular FormulaC19H21N3O7S
Molecular Weight435.46 g/mol
Exact Mass435.11
IUPAC Name3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC
InChIInChI=1S/C19H21N3O7S/c1-3-8-28-16-6-4-12(9-17(16)27-2)19(24)21-22-30(25,26)13-5-7-15-14(10-13)20-18(23)11-29-15/h4-7,9-10,22H,3,8,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGTBZDYMIMOBHDI-UHFFFAOYSA-N
XLogP1.44
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.44
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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Related Compounds

ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764
4-bromo-1-methyl-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrole-2-carbohydrazide
CID 16615874
N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 16615850
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N'-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxy-4-propoxybenzohydrazide
CID 18266953
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-ethoxy-4-propoxybenzoate
CID 2644929
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55660720
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 55306326

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide (CID 18281670) is 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC.
What is the InChIKey of 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide?
The InChIKey is GTBZDYMIMOBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7S/c1-3-8-28-16-6-4-12(9-17(16)27-2)19(24)21-22-30(25,26)13-5-7-15-14(10-13)20-18(23)11-29-15/h4-7,9-10,22H,3,8,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide?
3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide has a molecular weight of 435.46 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 18281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).