4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide

C25H28N4O4S — CID 55964177

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3NC(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C25H28N4O4S/c1-16(2)26-25(31)28-23-8-6-5-7-22(23)27-24(30)19-10-12-20(13-11-19)29-34(32,33)21-14-9-17(3)18(4)15-21/h5-16,29H,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyPYKMJWDUQATPPW-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.89
Rot. Bonds7

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 55964177) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID55964177
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3NC(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C25H28N4O4S/c1-16(2)26-25(31)28-23-8-6-5-7-22(23)27-24(30)19-10-12-20(13-11-19)29-34(32,33)21-14-9-17(3)18(4)15-21/h5-16,29H,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyPYKMJWDUQATPPW-UHFFFAOYSA-N
XLogP4.89
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 146100812
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 55964177) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3NC(=O)NC(C)C)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is PYKMJWDUQATPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-16(2)26-25(31)28-23-8-6-5-7-22(23)27-24(30)19-10-12-20(13-11-19)29-34(32,33)21-14-9-17(3)18(4)15-21/h5-16,29H,1-4H3,(H,27,30)(H2,26,28,31).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55964177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).