N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide

C24H26N2O3S — CID 100787996

IUPACN-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-5-12-22(13-6-17)30(28,29)26(4)21-10-8-20(9-11-21)16-24(27)25-23-14-7-18(2)15-19(23)3/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyLQQWTLGKDHWGDD-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.62
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide

N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 100787996) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID100787996
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-5-12-22(13-6-17)30(28,29)26(4)21-10-8-20(9-11-21)16-24(27)25-23-14-7-18(2)15-19(23)3/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyLQQWTLGKDHWGDD-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788554
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51345359
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 100787996) is N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is LQQWTLGKDHWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-5-12-22(13-6-17)30(28,29)26(4)21-10-8-20(9-11-21)16-24(27)25-23-14-7-18(2)15-19(23)3/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 100787996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).