N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C21H34N4O4S — CID 3239047

IUPACN-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)CCc1ccccc1
InChIInChI=1S/C21H34N4O4S/c1-23(11-7-19-5-3-2-4-6-19)14-10-22-21(26)20-8-12-24(13-9-20)30(27,28)25-15-17-29-18-16-25/h2-6,20H,7-18H2,1H3,(H,22,26)
InChIKeyOZWSUTDNLCNNTE-UHFFFAOYSA-N
MW438.59 g/mol
LogP0.57
Rot. Bonds9

About N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239047) has the molecular formula C21H34N4O4S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239047
Molecular FormulaC21H34N4O4S
Molecular Weight438.59 g/mol
Exact Mass438.23
IUPAC NameN-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)CCc1ccccc1
InChIInChI=1S/C21H34N4O4S/c1-23(11-7-19-5-3-2-4-6-19)14-10-22-21(26)20-8-12-24(13-9-20)30(27,28)25-15-17-29-18-16-25/h2-6,20H,7-18H2,1H3,(H,22,26)
InChIKeyOZWSUTDNLCNNTE-UHFFFAOYSA-N
XLogP0.57
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

(4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-2-[[(2S)-2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-N-(2-morpholin-4-ylethyl)-3-oxopentanamide
CID 15126584
PhPr-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162660473
PhEt-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162663182
N-[2-(morpholin-4-yl)ethyl]-4-phenylbutanamide
CID 885902
(2R)-N-[(2R)-6-amino-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 53379630
N-(4-methylbenzyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238307
N-(1-methyl-3-phenylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3241593
N-benzyl-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3245094
1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 4064384
1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 22552753
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 24816722

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3239047) is N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is CN(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)CCc1ccccc1.
What is the InChIKey of N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OZWSUTDNLCNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S/c1-23(11-7-19-5-3-2-4-6-19)14-10-22-21(26)20-8-12-24(13-9-20)30(27,28)25-15-17-29-18-16-25/h2-6,20H,7-18H2,1H3,(H,22,26).
What are the key properties of N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 0.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2-phenylethyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).