2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C23H21Cl3N2O4S — CID 126064839

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N2O4S/c1-15-6-11-22(32-2)21(12-15)27-23(29)14-28(13-18-19(25)4-3-5-20(18)26)33(30,31)17-9-7-16(24)8-10-17/h3-12H,13-14H2,1-2H3,(H,27,29)
InChIKeyNEPVSEDLANJFBC-UHFFFAOYSA-N
MW527.86 g/mol
LogP5.79
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 126064839) has the molecular formula C23H21Cl3N2O4S and a molecular weight of 527.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID126064839
Molecular FormulaC23H21Cl3N2O4S
Molecular Weight527.86 g/mol
Exact Mass526.03
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N2O4S/c1-15-6-11-22(32-2)21(12-15)27-23(29)14-28(13-18-19(25)4-3-5-20(18)26)33(30,31)17-9-7-16(24)8-10-17/h3-12H,13-14H2,1-2H3,(H,27,29)
InChIKeyNEPVSEDLANJFBC-UHFFFAOYSA-N
XLogP5.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.86
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126013776
2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055291
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126063511
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126080987
methyl 2-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 126061698
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126204295
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232287
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 126064839) is 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is NEPVSEDLANJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O4S/c1-15-6-11-22(32-2)21(12-15)27-23(29)14-28(13-18-19(25)4-3-5-20(18)26)33(30,31)17-9-7-16(24)8-10-17/h3-12H,13-14H2,1-2H3,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 527.86 g/mol, XLogP of 5.79, 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-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 126064839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).