N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide

C22H20Cl2N2O3S — CID 100788554

IUPACN-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-13-18(24)7-12-21(15)25-22(27)14-16-3-8-19(9-4-16)26(2)30(28,29)20-10-5-17(23)6-11-20/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyZZNISZRTLNYRQR-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.31
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide (PubChem CID 100788554) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
PubChem CID100788554
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-13-18(24)7-12-21(15)25-22(27)14-16-3-8-19(9-4-16)26(2)30(28,29)20-10-5-17(23)6-11-20/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyZZNISZRTLNYRQR-UHFFFAOYSA-N
XLogP5.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787996
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787113
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126065452
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787928
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 3996384
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide (CID 100788554) is N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide is Cc1cc(Cl)ccc1NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
The InChIKey is ZZNISZRTLNYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-15-13-18(24)7-12-21(15)25-22(27)14-16-3-8-19(9-4-16)26(2)30(28,29)20-10-5-17(23)6-11-20/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide is sourced from PubChem (CID 100788554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).