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

C22H20ClN3O6S — CID 22303871

IUPACN-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H20ClN3O6S/c1-14-6-8-18(12-20(14)26(28)29)33(30,31)21-11-17(32-2)7-9-19(21)24-13-22(27)25-16-5-3-4-15(23)10-16/h3-12,24H,13H2,1-2H3,(H,25,27)
InChIKeyBQHSFPRYFXOQFN-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.45
Rot. Bonds8

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

N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide (PubChem CID 22303871) has the molecular formula C22H20ClN3O6S and a molecular weight of 489.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
PubChem CID22303871
Molecular FormulaC22H20ClN3O6S
Molecular Weight489.94 g/mol
Exact Mass489.08
IUPAC NameN-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H20ClN3O6S/c1-14-6-8-18(12-20(14)26(28)29)33(30,31)21-11-17(32-2)7-9-19(21)24-13-22(27)25-16-5-3-4-15(23)10-16/h3-12,24H,13H2,1-2H3,(H,25,27)
InChIKeyBQHSFPRYFXOQFN-UHFFFAOYSA-N
XLogP4.45
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.45
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-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
CID 22303867
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 51345480
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium
CID 2114294
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22304612
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9331355
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide (CID 22303871) is N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide is COc1ccc(NCC(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
The InChIKey is BQHSFPRYFXOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O6S/c1-14-6-8-18(12-20(14)26(28)29)33(30,31)21-11-17(32-2)7-9-19(21)24-13-22(27)25-16-5-3-4-15(23)10-16/h3-12,24H,13H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide?
N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide has a molecular weight of 489.94 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22303871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).