N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H22N2O5S — CID 43001593

IUPACN-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-3-6-15(12-16)21-19(22)14-5-2-9-18(11-14)27(23,24)20-13-17-8-4-10-26-17/h2-3,5-7,9,11-12,17,20H,4,8,10,13H2,1H3,(H,21,22)
InChIKeyLPXPMKRNHCGYLK-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.40
Rot. Bonds7

About N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43001593) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43001593
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-3-6-15(12-16)21-19(22)14-5-2-9-18(11-14)27(23,24)20-13-17-8-4-10-26-17/h2-3,5-7,9,11-12,17,20H,4,8,10,13H2,1H3,(H,21,22)
InChIKeyLPXPMKRNHCGYLK-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43001593) is N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is LPXPMKRNHCGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-7-3-6-15(12-16)21-19(22)14-5-2-9-18(11-14)27(23,24)20-13-17-8-4-10-26-17/h2-3,5-7,9,11-12,17,20H,4,8,10,13H2,1H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).