N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C20H25N3O3S — CID 42147194

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-23(14-16-6-3-2-4-7-16)20-18(8-5-10-21-20)13-22-19(24)12-17-9-11-27(25,26)15-17/h2-8,10,17H,9,11-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyFSUSEBUSXPGQFP-QGZVFWFLSA-N
MW387.51 g/mol
LogP2.16
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 42147194) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID42147194
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-23(14-16-6-3-2-4-7-16)20-18(8-5-10-21-20)13-22-19(24)12-17-9-11-27(25,26)15-17/h2-8,10,17H,9,11-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyFSUSEBUSXPGQFP-QGZVFWFLSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
2-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 86907941
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 25303205
N-benzyl-2-(1,1-dioxothian-3-yl)acetamide
CID 110850619
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
N-[[4-(dimethylamino)phenyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9305719
2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 55688953
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 42147194) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is CN(Cc1ccccc1)c1ncccc1CNC(=O)C[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is FSUSEBUSXPGQFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-23(14-16-6-3-2-4-7-16)20-18(8-5-10-21-20)13-22-19(24)12-17-9-11-27(25,26)15-17/h2-8,10,17H,9,11-15H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 42147194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).