N-phenylmethoxy-3-(propylsulfonylamino)benzamide

C17H20N2O4S — CID 32581421

IUPACN-phenylmethoxy-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-11-24(21,22)19-16-10-6-9-15(12-16)17(20)18-23-13-14-7-4-3-5-8-14/h3-10,12,19H,2,11,13H2,1H3,(H,18,20)
InChIKeyHEJKIVYOQRHWIY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.70
Rot. Bonds8

About N-phenylmethoxy-3-(propylsulfonylamino)benzamide

N-phenylmethoxy-3-(propylsulfonylamino)benzamide (PubChem CID 32581421) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-phenylmethoxy-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-phenylmethoxy-3-(propylsulfonylamino)benzamide
PubChem CID32581421
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-phenylmethoxy-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-11-24(21,22)19-16-10-6-9-15(12-16)17(20)18-23-13-14-7-4-3-5-8-14/h3-10,12,19H,2,11,13H2,1H3,(H,18,20)
InChIKeyHEJKIVYOQRHWIY-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 36655501
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 39925941

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-phenylmethoxy-3-(propylsulfonylamino)benzamide (CID 32581421) is N-phenylmethoxy-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-phenylmethoxy-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-phenylmethoxy-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of N-phenylmethoxy-3-(propylsulfonylamino)benzamide?
The InChIKey is HEJKIVYOQRHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-11-24(21,22)19-16-10-6-9-15(12-16)17(20)18-23-13-14-7-4-3-5-8-14/h3-10,12,19H,2,11,13H2,1H3,(H,18,20).
What are the key properties of N-phenylmethoxy-3-(propylsulfonylamino)benzamide?
N-phenylmethoxy-3-(propylsulfonylamino)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 32581421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).