2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C18H22ClN3O5S2 — CID 100537477

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-21(28(2,24)25)16-9-6-8-15(11-16)20-18(23)13-22(29(3,26)27)12-14-7-4-5-10-17(14)19/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyLTWYKTRFFLJIGK-UHFFFAOYSA-N
MW459.98 g/mol
LogP2.14
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 100537477) has the molecular formula C18H22ClN3O5S2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID100537477
Molecular FormulaC18H22ClN3O5S2
Molecular Weight459.98 g/mol
Exact Mass459.07
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-21(28(2,24)25)16-9-6-8-15(11-16)20-18(23)13-22(29(3,26)27)12-14-7-4-5-10-17(14)19/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyLTWYKTRFFLJIGK-UHFFFAOYSA-N
XLogP2.14
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126137609
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126127010
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 988364
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 100514614
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 100537477) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1cccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is LTWYKTRFFLJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S2/c1-21(28(2,24)25)16-9-6-8-15(11-16)20-18(23)13-22(29(3,26)27)12-14-7-4-5-10-17(14)19/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 459.98 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 100537477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).