N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C26H30N2O4S — CID 92672317

IUPACN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)17-25(20-11-13-21(32-4)14-12-20)27-26(29)23-7-5-6-8-24(23)28-33(30,31)22-15-9-19(3)10-16-22/h5-16,18,25,28H,17H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeyNRLDUSMTXNXQDM-RUZDIDTESA-N
MW466.60 g/mol
LogP5.32
Rot. Bonds9

About N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92672317) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92672317
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)17-25(20-11-13-21(32-4)14-12-20)27-26(29)23-7-5-6-8-24(23)28-33(30,31)22-15-9-19(3)10-16-22/h5-16,18,25,28H,17H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeyNRLDUSMTXNXQDM-RUZDIDTESA-N
XLogP5.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43907741
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
CID 132655838
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46764222
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 92672317) is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is NRLDUSMTXNXQDM-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18(2)17-25(20-11-13-21(32-4)14-12-20)27-26(29)23-7-5-6-8-24(23)28-33(30,31)22-15-9-19(3)10-16-22/h5-16,18,25,28H,17H2,1-4H3,(H,27,29)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92672317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).