N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide

C18H18N2O5S — CID 39826924

IUPACN'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1C
InChIInChI=1S/C18H18N2O5S/c1-11-10-13(8-9-15(11)24-3)26(22,23)20-19-18(21)17-12(2)14-6-4-5-7-16(14)25-17/h4-10,20H,1-3H3,(H,19,21)
InChIKeyHHWXEOQTVLRROZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.68
Rot. Bonds5

About N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide

N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 39826924) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID39826924
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1C
InChIInChI=1S/C18H18N2O5S/c1-11-10-13(8-9-15(11)24-3)26(22,23)20-19-18(21)17-12(2)14-6-4-5-7-16(14)25-17/h4-10,20H,1-3H3,(H,19,21)
InChIKeyHHWXEOQTVLRROZ-UHFFFAOYSA-N
XLogP2.68
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.68
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-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide
CID 10222364
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
N'-[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 24662390
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297287
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
N'-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 55590636
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 27685815

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide (CID 39826924) is N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1C.
What is the InChIKey of N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is HHWXEOQTVLRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-11-10-13(8-9-15(11)24-3)26(22,23)20-19-18(21)17-12(2)14-6-4-5-7-16(14)25-17/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 374.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 39826924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).