N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

C19H22N2O5S2 — CID 55395683

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O5S2/c1-25-16-9-8-13(11-18(16)28(20,23)24)21-19(22)15-6-2-3-7-17(15)27-12-14-5-4-10-26-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyGKASOHJLJTZGEF-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.87
Rot. Bonds7

About N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55395683) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55395683
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O5S2/c1-25-16-9-8-13(11-18(16)28(20,23)24)21-19(22)15-6-2-3-7-17(15)27-12-14-5-4-10-26-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyGKASOHJLJTZGEF-UHFFFAOYSA-N
XLogP2.87
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55477836
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55395683) is N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is COc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is GKASOHJLJTZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-25-16-9-8-13(11-18(16)28(20,23)24)21-19(22)15-6-2-3-7-17(15)27-12-14-5-4-10-26-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55395683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).