2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide

C26H24ClN3O3S — CID 100793886

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1ccc(C2(C#N)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3S/c1-19-4-2-3-5-20(19)16-30(34(32,33)24-12-8-22(27)9-13-24)17-25(31)29-23-10-6-21(7-11-23)26(18-28)14-15-26/h2-13H,14-17H2,1H3,(H,29,31)
InChIKeyIXXCHYTWIZFFGM-UHFFFAOYSA-N
MW494.02 g/mol
LogP5.03
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide (PubChem CID 100793886) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
PubChem CID100793886
Molecular FormulaC26H24ClN3O3S
Molecular Weight494.02 g/mol
Exact Mass493.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1ccc(C2(C#N)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3S/c1-19-4-2-3-5-20(19)16-30(34(32,33)24-12-8-22(27)9-13-24)17-25(31)29-23-10-6-21(7-11-23)26(18-28)14-15-26/h2-13H,14-17H2,1H3,(H,29,31)
InChIKeyIXXCHYTWIZFFGM-UHFFFAOYSA-N
XLogP5.03
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126087455
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100790630
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 126069329
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 28545696
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 100793868
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967215
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide (CID 100793886) is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide is Cc1ccccc1CN(CC(=O)Nc1ccc(C2(C#N)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The InChIKey is IXXCHYTWIZFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c1-19-4-2-3-5-20(19)16-30(34(32,33)24-12-8-22(27)9-13-24)17-25(31)29-23-10-6-21(7-11-23)26(18-28)14-15-26/h2-13H,14-17H2,1H3,(H,29,31).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide has a molecular weight of 494.02 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide is sourced from PubChem (CID 100793886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).