N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide

C19H22N2O4S — CID 126448894

IUPACN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(24,25)17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(22)21-13-19(23)10-11-20-12-19/h2-9,20,23H,10-13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyWCKZRBAPOAGIEO-IBGZPJMESA-N
MW374.46 g/mol
LogP1.21
Rot. Bonds5

About N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide

N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide (PubChem CID 126448894) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
PubChem CID126448894
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(24,25)17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(22)21-13-19(23)10-11-20-12-19/h2-9,20,23H,10-13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyWCKZRBAPOAGIEO-IBGZPJMESA-N
XLogP1.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 114760357
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121499472
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 154905723
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 126447612

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide (CID 126448894) is N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1.
What is the InChIKey of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide?
The InChIKey is WCKZRBAPOAGIEO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(24,25)17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(22)21-13-19(23)10-11-20-12-19/h2-9,20,23H,10-13H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide?
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 126448894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).