N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C18H23N3O4S — CID 119407187

IUPACN-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN)c2)cc1
InChIInChI=1S/C18H23N3O4S/c1-21(15-7-9-16(25-2)10-8-15)26(23,24)17-6-3-5-14(13-17)18(22)20-12-4-11-19/h3,5-10,13H,4,11-12,19H2,1-2H3,(H,20,22)
InChIKeyOACQYMGHYVAZES-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.60
Rot. Bonds8

About N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 119407187) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID119407187
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN)c2)cc1
InChIInChI=1S/C18H23N3O4S/c1-21(15-7-9-16(25-2)10-8-15)26(23,24)17-6-3-5-14(13-17)18(22)20-12-4-11-19/h3,5-10,13H,4,11-12,19H2,1-2H3,(H,20,22)
InChIKeyOACQYMGHYVAZES-UHFFFAOYSA-N
XLogP1.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 119407187) is N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN)c2)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is OACQYMGHYVAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-21(15-7-9-16(25-2)10-8-15)26(23,24)17-6-3-5-14(13-17)18(22)20-12-4-11-19/h3,5-10,13H,4,11-12,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 119407187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).