N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C19H22N2O5S — CID 36818148

IUPACN-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-27(23,24)21-16-8-6-15(7-9-16)20-19(22)14-4-10-17(11-5-14)26-13-18-3-2-12-25-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyBQLZCAKIHXMKDE-GOSISDBHSA-N
MW390.46 g/mol
LogP2.87
Rot. Bonds7

About N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 36818148) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID36818148
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-27(23,24)21-16-8-6-15(7-9-16)20-19(22)14-4-10-17(11-5-14)26-13-18-3-2-12-25-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyBQLZCAKIHXMKDE-GOSISDBHSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 39907902
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 36818148) is N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is BQLZCAKIHXMKDE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-27(23,24)21-16-8-6-15(7-9-16)20-19(22)14-4-10-17(11-5-14)26-13-18-3-2-12-25-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 36818148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).