N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide

C26H30N2O3S2 — CID 28591623

IUPACN-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-5-19-9-8-10-20(6-2)25(19)27-26(29)21-11-13-22(14-12-21)28(7-3)33(30,31)24-17-15-23(32-4)16-18-24/h8-18H,5-7H2,1-4H3,(H,27,29)
InChIKeyYNRCGYOZHMOLCQ-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.00
Rot. Bonds9

About N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide

N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide (PubChem CID 28591623) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
PubChem CID28591623
Molecular FormulaC26H30N2O3S2
Molecular Weight482.67 g/mol
Exact Mass482.17
IUPAC NameN-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-5-19-9-8-10-20(6-2)25(19)27-26(29)21-11-13-22(14-12-21)28(7-3)33(30,31)24-17-15-23(32-4)16-18-24/h8-18H,5-7H2,1-4H3,(H,27,29)
InChIKeyYNRCGYOZHMOLCQ-UHFFFAOYSA-N
XLogP6.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 28591606
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-propan-2-yloxyphenyl)benzamide
CID 28591644
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 99940708
N-[2-(azepane-1-carbonyl)phenyl]-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 43882838
2-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 43882811
N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100560523
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 28631973
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864605
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 28591624
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 28635128
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94013014
N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 28591584

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide (CID 28591623) is N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide is CCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The InChIKey is YNRCGYOZHMOLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-5-19-9-8-10-20(6-2)25(19)27-26(29)21-11-13-22(14-12-21)28(7-3)33(30,31)24-17-15-23(32-4)16-18-24/h8-18H,5-7H2,1-4H3,(H,27,29).
What are the key properties of N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide?
N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide has a molecular weight of 482.67 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 28591623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).