4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide

C20H26N2O3S — CID 46651145

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C(C)C)cc2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-13(2)16(5)21-20(23)17-7-9-18(10-8-17)22-26(24,25)19-11-6-14(3)15(4)12-19/h6-13,16,22H,1-5H3,(H,21,23)
InChIKeyJXONHWGOIPVFCK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.88
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 46651145) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
PubChem CID46651145
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C(C)C)cc2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-13(2)16(5)21-20(23)17-7-9-18(10-8-17)22-26(24,25)19-11-6-14(3)15(4)12-19/h6-13,16,22H,1-5H3,(H,21,23)
InChIKeyJXONHWGOIPVFCK-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide (CID 46651145) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C(C)C)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is JXONHWGOIPVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13(2)16(5)21-20(23)17-7-9-18(10-8-17)22-26(24,25)19-11-6-14(3)15(4)12-19/h6-13,16,22H,1-5H3,(H,21,23).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 46651145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).