N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide

C22H23N3O5S — CID 71497196

IUPACN-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc(N)cc2)cc1NC(C)=O
InChIInChI=1S/C22H23N3O5S/c1-15(26)24-19-13-22(21(30-3)14-20(19)29-2)31(27,28)25(17-7-5-4-6-8-17)18-11-9-16(23)10-12-18/h4-14H,23H2,1-3H3,(H,24,26)
InChIKeyVCFXWRVLXIHUFN-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.77
Rot. Bonds7

About N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide

N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide (PubChem CID 71497196) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide
PubChem CID71497196
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc(N)cc2)cc1NC(C)=O
InChIInChI=1S/C22H23N3O5S/c1-15(26)24-19-13-22(21(30-3)14-20(19)29-2)31(27,28)25(17-7-5-4-6-8-17)18-11-9-16(23)10-12-18/h4-14H,23H2,1-3H3,(H,24,26)
InChIKeyVCFXWRVLXIHUFN-UHFFFAOYSA-N
XLogP3.77
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diphenylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
CID 71497194
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 57401935
N-[4-(dimethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 162727666
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
N-[4-(diethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 14895987
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
2-acetamido-5-amino-4-methoxybenzenesulfonic acid
CID 154133379
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide?
The IUPAC name of N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide (CID 71497196) is N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide is COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc(N)cc2)cc1NC(C)=O.
What is the InChIKey of N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide?
The InChIKey is VCFXWRVLXIHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15(26)24-19-13-22(21(30-3)14-20(19)29-2)31(27,28)25(17-7-5-4-6-8-17)18-11-9-16(23)10-12-18/h4-14H,23H2,1-3H3,(H,24,26).
What are the key properties of N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide?
N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide is sourced from PubChem (CID 71497196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).