3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

C22H33N3O4S — CID 93200710

IUPAC3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C22H33N3O4S/c1-16(2)30(28,29)25-13-9-18(10-14-25)20(22(27)24-11-4-5-12-24)23-21(26)19-8-6-7-17(3)15-19/h6-8,15-16,18,20H,4-5,9-14H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyPLOPSFNKWLMKPU-FQEVSTJZSA-N
MW435.59 g/mol
LogP2.17
Rot. Bonds6

About 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 93200710) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID93200710
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C22H33N3O4S/c1-16(2)30(28,29)25-13-9-18(10-14-25)20(22(27)24-11-4-5-12-24)23-21(26)19-8-6-7-17(3)15-19/h6-8,15-16,18,20H,4-5,9-14H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyPLOPSFNKWLMKPU-FQEVSTJZSA-N
XLogP2.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

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Related Compounds

3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 46020795
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 93200691
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
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
3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46020877
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020036
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 93200710) is 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)c1.
What is the InChIKey of 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is PLOPSFNKWLMKPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-16(2)30(28,29)25-13-9-18(10-14-25)20(22(27)24-11-4-5-12-24)23-21(26)19-8-6-7-17(3)15-19/h6-8,15-16,18,20H,4-5,9-14H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 435.59 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 93200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).