N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C24H25ClN2O4S — CID 126069625

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-17-7-10-21(11-8-17)32(29,30)27(15-19-6-4-5-18(2)13-19)16-24(28)26-20-9-12-23(31-3)22(25)14-20/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyJIBBJBWAXDTORJ-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.80
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126069625) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126069625
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-17-7-10-21(11-8-17)32(29,30)27(15-19-6-4-5-18(2)13-19)16-24(28)26-20-9-12-23(31-3)22(25)14-20/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyJIBBJBWAXDTORJ-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194
4-[[2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126069872
N-(1,3-benzodioxol-5-yl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069698
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280526
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126069625) is N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is JIBBJBWAXDTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-17-7-10-21(11-8-17)32(29,30)27(15-19-6-4-5-18(2)13-19)16-24(28)26-20-9-12-23(31-3)22(25)14-20/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126069625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).