(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide

C19H24N2O3S — CID 51725116

IUPAC(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O3S/c1-14(19(22)20-18-9-10-25(23,24)13-18)21(2)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyJHBLMHZZTKWMNI-KSSFIOAISA-N
MW360.48 g/mol
LogP1.96
Rot. Bonds5

About (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide (PubChem CID 51725116) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
PubChem CID51725116
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O3S/c1-14(19(22)20-18-9-10-25(23,24)13-18)21(2)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyJHBLMHZZTKWMNI-KSSFIOAISA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
CID 17468421
(2S)-2-[benzyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51684158
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24681595
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
2-[3-[benzyl(methyl)amino]butyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111835075
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl(furan-2-ylmethyl)amino]propanamide
CID 124839669
N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide?
The IUPAC name of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide (CID 51725116) is (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide is C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide?
The InChIKey is JHBLMHZZTKWMNI-KSSFIOAISA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(19(22)20-18-9-10-25(23,24)13-18)21(2)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide?
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide has a molecular weight of 360.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 51725116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).