N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide

C25H23NO6S — CID 68511610

IUPACN-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2C)c(OC)c1
InChIInChI=1S/C25H23NO6S/c1-15-20-10-8-17(16-6-5-7-18(12-16)26-33(4,28)29)13-23(20)32-25(15)24(27)21-11-9-19(30-2)14-22(21)31-3/h5-14,26H,1-4H3
InChIKeyPWCRINRHRJUKGE-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.03
Rot. Bonds7

About N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide

N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide (PubChem CID 68511610) has the molecular formula C25H23NO6S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
PubChem CID68511610
Molecular FormulaC25H23NO6S
Molecular Weight465.53 g/mol
Exact Mass465.12
IUPAC NameN-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2C)c(OC)c1
InChIInChI=1S/C25H23NO6S/c1-15-20-10-8-17(16-6-5-7-18(12-16)26-33(4,28)29)13-23(20)32-25(15)24(27)21-11-9-19(30-2)14-22(21)31-3/h5-14,26H,1-4H3
InChIKeyPWCRINRHRJUKGE-UHFFFAOYSA-N
XLogP5.03
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-[6-[3-(hydroxymethyl)phenyl]-3-methyl-1-benzofuran-2-yl]methanone
CID 68513386
N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide
CID 68719696
N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 59692042
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
CID 68525317
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 18077538
N-[3-[2-(2,4-dichlorobenzoyl)-3-[[2-methoxyethyl(propyl)amino]methyl]-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68507073
N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide
CID 59691901
N-[4-[[5-(2,4-dimethoxybenzoyl)-1-methylpyrrol-2-yl]methyl]-3-fluorophenyl]methanesulfonamide
CID 139878124
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide
CID 18626077

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide (CID 68511610) is N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide is COc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2C)c(OC)c1.
What is the InChIKey of N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The InChIKey is PWCRINRHRJUKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6S/c1-15-20-10-8-17(16-6-5-7-18(12-16)26-33(4,28)29)13-23(20)32-25(15)24(27)21-11-9-19(30-2)14-22(21)31-3/h5-14,26H,1-4H3.
What are the key properties of N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide?
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide has a molecular weight of 465.53 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 68511610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).