2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide

C25H25Cl3N2O3S — CID 58941165

IUPAC2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl
InChIInChI=1S/C25H25Cl3N2O3S/c1-16-12-24(17(2)11-22(16)28)34(32,33)30(15-25(31)29(3)4)23-10-9-20(26)14-19(23)13-18-7-5-6-8-21(18)27/h5-12,14H,13,15H2,1-4H3
InChIKeyQRURMIYGDALBSI-UHFFFAOYSA-N
MW539.91 g/mol
LogP6.14
Rot. Bonds7

About 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide

2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide (PubChem CID 58941165) has the molecular formula C25H25Cl3N2O3S and a molecular weight of 539.91 g/mol. Its IUPAC name is 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide
PubChem CID58941165
Molecular FormulaC25H25Cl3N2O3S
Molecular Weight539.91 g/mol
Exact Mass538.07
IUPAC Name2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl
InChIInChI=1S/C25H25Cl3N2O3S/c1-16-12-24(17(2)11-22(16)28)34(32,33)30(15-25(31)29(3)4)23-10-9-20(26)14-19(23)13-18-7-5-6-8-21(18)27/h5-12,14H,13,15H2,1-4H3
InChIKeyQRURMIYGDALBSI-UHFFFAOYSA-N
XLogP6.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.91
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]acetamide
CID 58941467
2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132692323
2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132748322
N-butan-2-yl-2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]propanamide
CID 132751223
(2S)-2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100671683
(2S)-2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100564911
N-tert-butyl-2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 132753713
2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132694166
2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132694160
(2S)-2-[[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100672272
2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-butylpropanamide
CID 132748392
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132694181

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide (CID 58941165) is 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide is Cc1cc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2Cc2ccccc2Cl)c(C)cc1Cl.
What is the InChIKey of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide?
The InChIKey is QRURMIYGDALBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N2O3S/c1-16-12-24(17(2)11-22(16)28)34(32,33)30(15-25(31)29(3)4)23-10-9-20(26)14-19(23)13-18-7-5-6-8-21(18)27/h5-12,14H,13,15H2,1-4H3.
What are the key properties of 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide?
2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide has a molecular weight of 539.91 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-[(2-chlorophenyl)methyl]anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 58941165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).