(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide

C20H18N2O4S — CID 51583917

IUPAC(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H18N2O4S/c1-13(26-15-7-8-17-18(10-15)25-12-24-17)19(23)22-20-21-11-16(27-20)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyAHQKLIPHWHFTDD-CYBMUJFWSA-N
MW382.44 g/mol
LogP3.87
Rot. Bonds6

About (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide

(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide (PubChem CID 51583917) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
PubChem CID51583917
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H18N2O4S/c1-13(26-15-7-8-17-18(10-15)25-12-24-17)19(23)22-20-21-11-16(27-20)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyAHQKLIPHWHFTDD-CYBMUJFWSA-N
XLogP3.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 45147873
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034463
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
CID 45148281
2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55597894
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide (CID 51583917) is (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide is C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AHQKLIPHWHFTDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13(26-15-7-8-17-18(10-15)25-12-24-17)19(23)22-20-21-11-16(27-20)9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 382.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 51583917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).