N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide

C24H25N3O6S — CID 22303867

IUPACN-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)c(C)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C24H25N3O6S/c1-15-5-7-18(11-17(15)3)26-24(28)14-25-21-10-8-19(33-4)12-23(21)34(31,32)20-9-6-16(2)22(13-20)27(29)30/h5-13,25H,14H2,1-4H3,(H,26,28)
InChIKeyVBCLKWZJCVSDLK-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.41
Rot. Bonds8

About N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide

N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide (PubChem CID 22303867) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
PubChem CID22303867
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)c(C)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C24H25N3O6S/c1-15-5-7-18(11-17(15)3)26-24(28)14-25-21-10-8-19(33-4)12-23(21)34(31,32)20-9-6-16(2)22(13-20)27(29)30/h5-13,25H,14H2,1-4H3,(H,26,28)
InChIKeyVBCLKWZJCVSDLK-UHFFFAOYSA-N
XLogP4.41
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
CID 22303871
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 2947742
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
CID 26438397
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4795337
N-(4-iodophenyl)-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 2890634
N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438465
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide (CID 22303867) is N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide is COc1ccc(NCC(=O)Nc2ccc(C)c(C)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The InChIKey is VBCLKWZJCVSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-15-5-7-18(11-17(15)3)26-24(28)14-25-21-10-8-19(33-4)12-23(21)34(31,32)20-9-6-16(2)22(13-20)27(29)30/h5-13,25H,14H2,1-4H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide has a molecular weight of 483.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22303867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).