2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide

C16H18N2O5S — CID 9468106

IUPAC2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C16H18N2O5S/c1-10-8-14(11(2)23-10)16(20)18-17-15(19)13-6-4-12(5-7-13)9-24(3,21)22/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJPONGMPUVPUJBX-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.52
Rot. Bonds4

About 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide (PubChem CID 9468106) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
PubChem CID9468106
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C16H18N2O5S/c1-10-8-14(11(2)23-10)16(20)18-17-15(19)13-6-4-12(5-7-13)9-24(3,21)22/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJPONGMPUVPUJBX-UHFFFAOYSA-N
XLogP1.52
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.52
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

4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide (CID 9468106) is 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide?
The InChIKey is JPONGMPUVPUJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-8-14(11(2)23-10)16(20)18-17-15(19)13-6-4-12(5-7-13)9-24(3,21)22/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide has a molecular weight of 350.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide is sourced from PubChem (CID 9468106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).