N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide

C17H21N3O4S — CID 55709594

IUPACN-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C17H21N3O4S/c1-12-11-14(20(2)3)7-10-16(12)18-17(21)13-5-8-15(9-6-13)25(22,23)19-24-4/h5-11,19H,1-4H3,(H,18,21)
InChIKeyWAPKBUDAKRNQIV-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.15
Rot. Bonds6

About N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide

N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide (PubChem CID 55709594) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide
PubChem CID55709594
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C17H21N3O4S/c1-12-11-14(20(2)3)7-10-16(12)18-17(21)13-5-8-15(9-6-13)25(22,23)19-24-4/h5-11,19H,1-4H3,(H,18,21)
InChIKeyWAPKBUDAKRNQIV-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 94108691
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
CID 103144355
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide (CID 55709594) is N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide is CONS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide?
The InChIKey is WAPKBUDAKRNQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-11-14(20(2)3)7-10-16(12)18-17(21)13-5-8-15(9-6-13)25(22,23)19-24-4/h5-11,19H,1-4H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide?
N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 55709594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).