3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide

C19H18N2O5S — CID 22109365

IUPAC3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)oc2ccccc12
InChIInChI=1S/C19H18N2O5S/c1-12-15-8-3-4-9-16(15)26-17(12)19(23)21-20-18(22)14-7-5-6-13(10-14)11-27(2,24)25/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWNGNONLSHKWZMU-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.36
Rot. Bonds4

About 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 22109365) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
PubChem CID22109365
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)oc2ccccc12
InChIInChI=1S/C19H18N2O5S/c1-12-15-8-3-4-9-16(15)26-17(12)19(23)21-20-18(22)14-7-5-6-13(10-14)11-27(2,24)25/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWNGNONLSHKWZMU-UHFFFAOYSA-N
XLogP2.36
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.36
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

N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 27685815
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
CID 97230701
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide (CID 22109365) is 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is WNGNONLSHKWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-15-8-3-4-9-16(15)26-17(12)19(23)21-20-18(22)14-7-5-6-13(10-14)11-27(2,24)25/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 386.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 22109365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).