N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide

C18H23N3O4S — CID 119420171

IUPACN-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H23N3O4S/c1-4-12(2)21-26(23,24)15-8-5-13(6-9-15)18(22)20-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4,19H2,1-3H3,(H,20,22)
InChIKeyMOZWWPBQKPJIHV-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.61
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide

N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide (PubChem CID 119420171) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
PubChem CID119420171
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H23N3O4S/c1-4-12(2)21-26(23,24)15-8-5-13(6-9-15)18(22)20-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4,19H2,1-3H3,(H,20,22)
InChIKeyMOZWWPBQKPJIHV-UHFFFAOYSA-N
XLogP2.61
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
4-[(3-amino-4-methoxybenzoyl)amino]benzenesulfonic acid
CID 21406545
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide (CID 119420171) is N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide?
The InChIKey is MOZWWPBQKPJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-12(2)21-26(23,24)15-8-5-13(6-9-15)18(22)20-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4,19H2,1-3H3,(H,20,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide?
N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 119420171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).