2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide

C21H33N3O3S — CID 60551924

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
SMILESCC1CCN(C(CNC(=O)CN(C)C2CCS(=O)(=O)C2)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O3S/c1-17-8-11-24(12-9-17)20(18-6-4-3-5-7-18)14-22-21(25)15-23(2)19-10-13-28(26,27)16-19/h3-7,17,19-20H,8-16H2,1-2H3,(H,22,25)
InChIKeyGSHJDPBBBYUSAT-UHFFFAOYSA-N
MW407.58 g/mol
LogP1.69
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide (PubChem CID 60551924) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
PubChem CID60551924
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
SMILESCC1CCN(C(CNC(=O)CN(C)C2CCS(=O)(=O)C2)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O3S/c1-17-8-11-24(12-9-17)20(18-6-4-3-5-7-18)14-22-21(25)15-23(2)19-10-13-28(26,27)16-19/h3-7,17,19-20H,8-16H2,1-2H3,(H,22,25)
InChIKeyGSHJDPBBBYUSAT-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide with MolForge

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Related Compounds

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 124737319
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
3-(1,1-dioxothiolan-3-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110356279
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 118795526
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)-1-methylurea
CID 42885771
1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
CID 110902742
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18142870

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide (CID 60551924) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide is CC1CCN(C(CNC(=O)CN(C)C2CCS(=O)(=O)C2)c2ccccc2)CC1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
The InChIKey is GSHJDPBBBYUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-17-8-11-24(12-9-17)20(18-6-4-3-5-7-18)14-22-21(25)15-23(2)19-10-13-28(26,27)16-19/h3-7,17,19-20H,8-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 60551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).