N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide

C19H22N2O5S — CID 67840213

IUPACN-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide
SMILESCS(=O)(=O)N1CC(O)C(NC(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O5S/c1-27(24,25)21-11-17(18(22)12-21)20-19(23)15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,20,23)
InChIKeyKVJCKQBJEOJOJJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.00
Rot. Bonds6

About N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide

N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide (PubChem CID 67840213) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide
PubChem CID67840213
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide
SMILESCS(=O)(=O)N1CC(O)C(NC(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O5S/c1-27(24,25)21-11-17(18(22)12-21)20-19(23)15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,20,23)
InChIKeyKVJCKQBJEOJOJJ-UHFFFAOYSA-N
XLogP1.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
CID 23366095
N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]-4-phenylmethoxybenzamide
CID 26741961
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
CID 10150574
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide
CID 144708687
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(phenoxymethyl)benzamide
CID 154820224
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide (CID 67840213) is N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide is CS(=O)(=O)N1CC(O)C(NC(=O)c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide?
The InChIKey is KVJCKQBJEOJOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-27(24,25)21-11-17(18(22)12-21)20-19(23)15-7-9-16(10-8-15)26-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,20,23).
What are the key properties of N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide?
N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide has a molecular weight of 390.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 67840213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).