N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide

C25H23N3O3S — CID 18928951

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESNCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C25H23N3O3S/c26-16-18-5-3-6-19(13-18)17-27-25(29)22-9-4-10-23(14-22)28-32(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-15,28H,16-17,26H2,(H,27,29)
InChIKeyGELVZOBPTXXHOU-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.03
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 18928951) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID18928951
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESNCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C25H23N3O3S/c26-16-18-5-3-6-19(13-18)17-27-25(29)22-9-4-10-23(14-22)28-32(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-15,28H,16-17,26H2,(H,27,29)
InChIKeyGELVZOBPTXXHOU-UHFFFAOYSA-N
XLogP4.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 70055276
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 7042185
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide (CID 18928951) is N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide is NCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is GELVZOBPTXXHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c26-16-18-5-3-6-19(13-18)17-27-25(29)22-9-4-10-23(14-22)28-32(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-15,28H,16-17,26H2,(H,27,29).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 18928951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).