3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide

C25H28N2O3S — CID 133217988

IUPAC3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cc(C)c(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C
InChIInChI=1S/C25H28N2O3S/c1-16-11-12-21(15-24(16)27-31(29,30)22-9-7-6-8-10-22)25(28)26-20(5)23-14-18(3)17(2)13-19(23)4/h6-15,20,27H,1-5H3,(H,26,28)
InChIKeyOCWHPGJHGAAGCS-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.21
Rot. Bonds6

About 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide

3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide (PubChem CID 133217988) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
PubChem CID133217988
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCc1cc(C)c(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C
InChIInChI=1S/C25H28N2O3S/c1-16-11-12-21(15-24(16)27-31(29,30)22-9-7-6-8-10-22)25(28)26-20(5)23-14-18(3)17(2)13-19(23)4/h6-15,20,27H,1-5H3,(H,26,28)
InChIKeyOCWHPGJHGAAGCS-UHFFFAOYSA-N
XLogP5.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide (CID 133217988) is 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide is Cc1cc(C)c(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C.
What is the InChIKey of 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The InChIKey is OCWHPGJHGAAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-16-11-12-21(15-24(16)27-31(29,30)22-9-7-6-8-10-22)25(28)26-20(5)23-14-18(3)17(2)13-19(23)4/h6-15,20,27H,1-5H3,(H,26,28).
What are the key properties of 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 133217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).