3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

C26H33N3O4S — CID 93200709

IUPAC3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-19-8-10-23(11-9-19)34(32,33)29-16-12-21(13-17-29)24(26(31)28-14-3-4-15-28)27-25(30)22-7-5-6-20(2)18-22/h5-11,18,21,24H,3-4,12-17H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyVZHKGBQEDRIQRB-XMMPIXPASA-N
MW483.63 g/mol
LogP3.13
Rot. Bonds6

About 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 93200709) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID93200709
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-19-8-10-23(11-9-19)34(32,33)29-16-12-21(13-17-29)24(26(31)28-14-3-4-15-28)27-25(30)22-7-5-6-20(2)18-22/h5-11,18,21,24H,3-4,12-17H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyVZHKGBQEDRIQRB-XMMPIXPASA-N
XLogP3.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46020877
3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93200710
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46020159
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 46020042
4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 46020795
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020036
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55943815
N-[(2R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 26007115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (CID 93200709) is 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is Cc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3cccc(C)c3)C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is VZHKGBQEDRIQRB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-19-8-10-23(11-9-19)34(32,33)29-16-12-21(13-17-29)24(26(31)28-14-3-4-15-28)27-25(30)22-7-5-6-20(2)18-22/h5-11,18,21,24H,3-4,12-17H2,1-2H3,(H,27,30)/t24-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 483.63 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 93200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).