N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C26H29N3O4S — CID 55629211

IUPACN-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)20-10-9-11-21(17-20)27-25(30)22-12-7-8-13-23(22)28-34(32,33)24-16-18(3)14-15-19(24)4/h7-17,28H,5-6H2,1-4H3,(H,27,30)
InChIKeyTUTGXKWMFXBHDQ-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.84
Rot. Bonds8

About N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 55629211) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID55629211
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)20-10-9-11-21(17-20)27-25(30)22-12-7-8-13-23(22)28-34(32,33)24-16-18(3)14-15-19(24)4/h7-17,28H,5-6H2,1-4H3,(H,27,30)
InChIKeyTUTGXKWMFXBHDQ-UHFFFAOYSA-N
XLogP4.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 55955299
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 55629211) is N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is TUTGXKWMFXBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-5-29(6-2)26(31)20-10-9-11-21(17-20)27-25(30)22-12-7-8-13-23(22)28-34(32,33)24-16-18(3)14-15-19(24)4/h7-17,28H,5-6H2,1-4H3,(H,27,30).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55629211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).