N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

C26H29N3O4S — CID 26899681

IUPACN,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)21-9-13-22(14-10-21)27-25(30)20-11-15-23(16-12-20)28(4)34(32,33)24-17-7-19(3)8-18-24/h7-18H,5-6H2,1-4H3,(H,27,30)
InChIKeyCNFNAIMWWMJCRW-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.55
Rot. Bonds8

About N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (PubChem CID 26899681) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
PubChem CID26899681
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)21-9-13-22(14-10-21)27-25(30)20-11-15-23(16-12-20)28(4)34(32,33)24-17-7-19(3)8-18-24/h7-18H,5-6H2,1-4H3,(H,27,30)
InChIKeyCNFNAIMWWMJCRW-UHFFFAOYSA-N
XLogP4.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55532553
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (CID 26899681) is N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The InChIKey is CNFNAIMWWMJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)21-9-13-22(14-10-21)27-25(30)20-11-15-23(16-12-20)28(4)34(32,33)24-17-7-19(3)8-18-24/h7-18H,5-6H2,1-4H3,(H,27,30).
What are the key properties of N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is sourced from PubChem (CID 26899681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).