N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

C19H25N3O4S — CID 119420241

IUPACN-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(N)c2)ccc1C
InChIInChI=1S/C19H25N3O4S/c1-5-22(6-2)27(24,25)18-11-14(8-7-13(18)3)19(23)21-15-9-10-17(26-4)16(20)12-15/h7-12H,5-6,20H2,1-4H3,(H,21,23)
InChIKeyMGBYCIHZNWCSFI-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.87
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 119420241) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID119420241
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(N)c2)ccc1C
InChIInChI=1S/C19H25N3O4S/c1-5-22(6-2)27(24,25)18-11-14(8-7-13(18)3)19(23)21-15-9-10-17(26-4)16(20)12-15/h7-12H,5-6,20H2,1-4H3,(H,21,23)
InChIKeyMGBYCIHZNWCSFI-UHFFFAOYSA-N
XLogP2.87
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26211930
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (CID 119420241) is N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(N)c2)ccc1C.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is MGBYCIHZNWCSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-22(6-2)27(24,25)18-11-14(8-7-13(18)3)19(23)21-15-9-10-17(26-4)16(20)12-15/h7-12H,5-6,20H2,1-4H3,(H,21,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 391.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 119420241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).