N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide

C24H24Cl2N2O3S — CID 42910777

IUPACN-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-3-16(2)18-6-10-19(11-7-18)27-24(29)14-17-4-8-20(9-5-17)28-32(30,31)21-12-13-22(25)23(26)15-21/h4-13,15-16,28H,3,14H2,1-2H3,(H,27,29)
InChIKeyZEMSVOLJEHOSRR-UHFFFAOYSA-N
MW491.44 g/mol
LogP6.49
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide

N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 42910777) has the molecular formula C24H24Cl2N2O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID42910777
Molecular FormulaC24H24Cl2N2O3S
Molecular Weight491.44 g/mol
Exact Mass490.09
IUPAC NameN-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-3-16(2)18-6-10-19(11-7-18)27-24(29)14-17-4-8-20(9-5-17)28-32(30,31)21-12-13-22(25)23(26)15-21/h4-13,15-16,28H,3,14H2,1-2H3,(H,27,29)
InChIKeyZEMSVOLJEHOSRR-UHFFFAOYSA-N
XLogP6.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide (CID 42910777) is N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide is CCC(C)c1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is ZEMSVOLJEHOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S/c1-3-16(2)18-6-10-19(11-7-18)27-24(29)14-17-4-8-20(9-5-17)28-32(30,31)21-12-13-22(25)23(26)15-21/h4-13,15-16,28H,3,14H2,1-2H3,(H,27,29).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide?
N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 491.44 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 42910777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).