2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide

C17H20N2O4S — CID 4796456

IUPAC2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-9-14(24(18,21)22)12-15(16)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyIPZAVJHDDLPXFZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.71
Rot. Bonds7

About 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide

2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide (PubChem CID 4796456) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
PubChem CID4796456
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-9-14(24(18,21)22)12-15(16)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyIPZAVJHDDLPXFZ-UHFFFAOYSA-N
XLogP1.71
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
3-[(N-benzylanilino)carbamoyl]-4-methoxybenzenesulfonamide
CID 9206573
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 9162988
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoylbenzamide
CID 9499127

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide (CID 4796456) is 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide?
The InChIKey is IPZAVJHDDLPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-16-10-9-14(24(18,21)22)12-15(16)17(20)19-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide?
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 4796456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).