3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

C26H33N3O5S — CID 46020877

IUPAC3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-6-8-23(9-7-19)35(32,33)29-12-10-21(11-13-29)24(26(31)28-14-16-34-17-15-28)27-25(30)22-5-3-4-20(2)18-22/h3-9,18,21,24H,10-17H2,1-2H3,(H,27,30)
InChIKeyNTSDFWISOZNPEQ-UHFFFAOYSA-N
MW499.63 g/mol
LogP2.36
Rot. Bonds6

About 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (PubChem CID 46020877) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
PubChem CID46020877
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-6-8-23(9-7-19)35(32,33)29-12-10-21(11-13-29)24(26(31)28-14-16-34-17-15-28)27-25(30)22-5-3-4-20(2)18-22/h3-9,18,21,24H,10-17H2,1-2H3,(H,27,30)
InChIKeyNTSDFWISOZNPEQ-UHFFFAOYSA-N
XLogP2.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 93199113
3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93200710
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93199115
3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46151903
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55943815
3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46020159

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (CID 46020877) is 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(C(NC(=O)c3cccc(C)c3)C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The InChIKey is NTSDFWISOZNPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19-6-8-23(9-7-19)35(32,33)29-12-10-21(11-13-29)24(26(31)28-14-16-34-17-15-28)27-25(30)22-5-3-4-20(2)18-22/h3-9,18,21,24H,10-17H2,1-2H3,(H,27,30).
What are the key properties of 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide has a molecular weight of 499.63 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is sourced from PubChem (CID 46020877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).