N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C16H18N2O4S — CID 2677212

IUPACN'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H18N2O4S/c1-9-7-13(10(2)22-9)16(20)18-17-15(19)12-6-5-11(23-4)8-14(12)21-3/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyXPUWTFPSOXLEBO-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.70
Rot. Bonds4

About N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2677212) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2677212
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H18N2O4S/c1-9-7-13(10(2)22-9)16(20)18-17-15(19)12-6-5-11(23-4)8-14(12)21-3/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyXPUWTFPSOXLEBO-UHFFFAOYSA-N
XLogP2.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
2,5-dimethyl-N'-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]furan-3-carbohydrazide
CID 9116492
1-tert-butyl-3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]thiourea
CID 9425478
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
N'-(2-methoxy-4-methylsulfanylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9301220

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 2677212) is N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide is COc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is XPUWTFPSOXLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-9-7-13(10(2)22-9)16(20)18-17-15(19)12-6-5-11(23-4)8-14(12)21-3/h5-8H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 334.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2677212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).