N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide

C24H26N4O4S — CID 22291070

IUPACN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H26N4O4S/c1-16-11-12-19(25-23(29)18-8-6-10-21(14-18)28(2)3)15-22(16)26-24(30)17-7-5-9-20(13-17)27-33(4,31)32/h5-15,27H,1-4H3,(H,25,29)(H,26,30)
InChIKeyAXAYDLAGNQHSIZ-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.94
Rot. Bonds7

About N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide (PubChem CID 22291070) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
PubChem CID22291070
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H26N4O4S/c1-16-11-12-19(25-23(29)18-8-6-10-21(14-18)28(2)3)15-22(16)26-24(30)17-7-5-9-20(13-17)27-33(4,31)32/h5-15,27H,1-4H3,(H,25,29)(H,26,30)
InChIKeyAXAYDLAGNQHSIZ-UHFFFAOYSA-N
XLogP3.94
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
CID 22291123
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide (CID 22291070) is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide?
The InChIKey is AXAYDLAGNQHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-11-12-19(25-23(29)18-8-6-10-21(14-18)28(2)3)15-22(16)26-24(30)17-7-5-9-20(13-17)27-33(4,31)32/h5-15,27H,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide?
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 22291070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).