N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide

C23H32N2O3S — CID 125042955

IUPACN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC
InChIInChI=1S/C23H32N2O3S/c1-7-25(29(27,28)8-2)21-15-11-19(12-16-21)22(26)24-17(3)18-9-13-20(14-10-18)23(4,5)6/h9-17H,7-8H2,1-6H3,(H,24,26)/t17-/m1/s1
InChIKeyZEOZQLAXELKLIC-QGZVFWFLSA-N
MW416.59 g/mol
LogP4.65
Rot. Bonds7

About N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide (PubChem CID 125042955) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
PubChem CID125042955
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC
InChIInChI=1S/C23H32N2O3S/c1-7-25(29(27,28)8-2)21-15-11-19(12-16-21)22(26)24-17(3)18-9-13-20(14-10-18)23(4,5)6/h9-17H,7-8H2,1-6H3,(H,24,26)/t17-/m1/s1
InChIKeyZEOZQLAXELKLIC-QGZVFWFLSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 132658891
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94013014
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 125042751
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide (CID 125042955) is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide is CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The InChIKey is ZEOZQLAXELKLIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-7-25(29(27,28)8-2)21-15-11-19(12-16-21)22(26)24-17(3)18-9-13-20(14-10-18)23(4,5)6/h9-17H,7-8H2,1-6H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide has a molecular weight of 416.59 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide is sourced from PubChem (CID 125042955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).