N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

C20H31N3O4S — CID 42460138

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-22-12-6-7-16(22)15-21-20(24)18-8-4-5-9-19(18)27-17-10-13-23(14-11-17)28(2,25)26/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyUXHSYZXZQRRUII-MRXNPFEDSA-N
MW409.55 g/mol
LogP1.70
Rot. Bonds7

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (PubChem CID 42460138) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
PubChem CID42460138
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-22-12-6-7-16(22)15-21-20(24)18-8-4-5-9-19(18)27-17-10-13-23(14-11-17)28(2,25)26/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyUXHSYZXZQRRUII-MRXNPFEDSA-N
XLogP1.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72892898
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (CID 42460138) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is CCN1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The InChIKey is UXHSYZXZQRRUII-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-22-12-6-7-16(22)15-21-20(24)18-8-4-5-9-19(18)27-17-10-13-23(14-11-17)28(2,25)26/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide has a molecular weight of 409.55 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 42460138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).