4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C22H30N2O3S — CID 43016594

IUPAC4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C(C)C)ccc2C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-13(2)18(7)23-22(25)19-9-8-15(4)20(12-19)24-28(26,27)21-16(5)10-14(3)11-17(21)6/h8-13,18,24H,1-7H3,(H,23,25)
InChIKeyMOWSAYMRHBTLHY-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.50
Rot. Bonds6

About 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 43016594) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID43016594
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C(C)C)ccc2C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-13(2)18(7)23-22(25)19-9-8-15(4)20(12-19)24-28(26,27)21-16(5)10-14(3)11-17(21)6/h8-13,18,24H,1-7H3,(H,23,25)
InChIKeyMOWSAYMRHBTLHY-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide with MolForge

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Related Compounds

4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100566256
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 31544756
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 43016594) is 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C(C)C)ccc2C)c(C)c1.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is MOWSAYMRHBTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-13(2)18(7)23-22(25)19-9-8-15(4)20(12-19)24-28(26,27)21-16(5)10-14(3)11-17(21)6/h8-13,18,24H,1-7H3,(H,23,25).
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 402.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 43016594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).