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

C24H22N2O4S — CID 59692042

IUPACN-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c(C)c1
InChIInChI=1S/C24H22N2O4S/c1-14-7-9-19(15(2)11-14)23(27)24-22(25)20-10-8-17(13-21(20)30-24)16-5-4-6-18(12-16)26-31(3,28)29/h4-13,26H,25H2,1-3H3
InChIKeyYXWRYIPBYMWLEY-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.90
Rot. Bonds5

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

N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide (PubChem CID 59692042) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
PubChem CID59692042
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c(C)c1
InChIInChI=1S/C24H22N2O4S/c1-14-7-9-19(15(2)11-14)23(27)24-22(25)20-10-8-17(13-21(20)30-24)16-5-4-6-18(12-16)26-31(3,28)29/h4-13,26H,25H2,1-3H3
InChIKeyYXWRYIPBYMWLEY-UHFFFAOYSA-N
XLogP4.90
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
(3-Amino-1-benzofuran-2-YL)((1,1'-biphenyl)-4-YL)methanone
CID 10710305
(1-Amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,4-difluorophenyl)methanone
CID 10286565
(3-Amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2,4-bis(trifluoromethyl)phenyl]methanone
CID 10310126
(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
CID 58759498
(3-Amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 58759517
(3-Amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
CID 58759560
(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
CID 58759569
(3-Amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
CID 58759571
(1-Amino-6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone
CID 58759589
3-amino-2-(4-fluoro-3-methoxybenzoyl)-7,8-dihydro-6H-benzo[f][1]benzofuran-5-one
CID 58759618
(3-Amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 58759651

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide (CID 59692042) is N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide is Cc1ccc(C(=O)c2oc3cc(-c4cccc(NS(C)(=O)=O)c4)ccc3c2N)c(C)c1.
What is the InChIKey of N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The InChIKey is YXWRYIPBYMWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-14-7-9-19(15(2)11-14)23(27)24-22(25)20-10-8-17(13-21(20)30-24)16-5-4-6-18(12-16)26-31(3,28)29/h4-13,26H,25H2,1-3H3.
What are the key properties of N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-amino-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59692042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).