2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide

C20H24Cl2N2O3S — CID 126011436

IUPAC2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-4-23(5-2)20(25)14-24(13-17-18(21)7-6-8-19(17)22)28(26,27)16-11-9-15(3)10-12-16/h6-12H,4-5,13-14H2,1-3H3
InChIKeyDZZQVHNTRIJSPQ-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.36
Rot. Bonds8

About 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide

2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide (PubChem CID 126011436) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
PubChem CID126011436
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-4-23(5-2)20(25)14-24(13-17-18(21)7-6-8-19(17)22)28(26,27)16-11-9-15(3)10-12-16/h6-12H,4-5,13-14H2,1-3H3
InChIKeyDZZQVHNTRIJSPQ-UHFFFAOYSA-N
XLogP4.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2,6-dichlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 1329397
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N,N-diethylacetamide
CID 126091790
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 126125719
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
CID 126067649
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126068183
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100792827

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide (CID 126011436) is 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The InChIKey is DZZQVHNTRIJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-4-23(5-2)20(25)14-24(13-17-18(21)7-6-8-19(17)22)28(26,27)16-11-9-15(3)10-12-16/h6-12H,4-5,13-14H2,1-3H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide has a molecular weight of 443.40 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 126011436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).