N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C18H23N3O3S — CID 119405384

IUPACN-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN)c2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-5-3-6-15(11-13)21-25(23,24)16-8-7-14(2)17(12-16)18(22)20-10-4-9-19/h3,5-8,11-12,21H,4,9-10,19H2,1-2H3,(H,20,22)
InChIKeyFQGXVHSZFAZIDA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.18
Rot. Bonds7

About N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 119405384) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID119405384
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN)c2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-5-3-6-15(11-13)21-25(23,24)16-8-7-14(2)17(12-16)18(22)20-10-4-9-19/h3,5-8,11-12,21H,4,9-10,19H2,1-2H3,(H,20,22)
InChIKeyFQGXVHSZFAZIDA-UHFFFAOYSA-N
XLogP2.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 56578076
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 119405384) is N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN)c2)c1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FQGXVHSZFAZIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-5-3-6-15(11-13)21-25(23,24)16-8-7-14(2)17(12-16)18(22)20-10-4-9-19/h3,5-8,11-12,21H,4,9-10,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119405384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).