N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C22H20N2O4S — CID 24555160

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2ccc3c(c2)OCCO3)nc1-c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-14(25)21-20(16-5-3-2-4-6-16)24-22(29-21)23-19(26)10-8-15-7-9-17-18(13-15)28-12-11-27-17/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,26)
InChIKeyRKVOPKHZYXKAES-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.36
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 24555160) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID24555160
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2ccc3c(c2)OCCO3)nc1-c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-14(25)21-20(16-5-3-2-4-6-16)24-22(29-21)23-19(26)10-8-15-7-9-17-18(13-15)28-12-11-27-17/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,26)
InChIKeyRKVOPKHZYXKAES-UHFFFAOYSA-N
XLogP4.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 56661448
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18121682
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4791131
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 51513965
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-4-bromobenzamide
CID 26196562
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 24555160) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)c1sc(NC(=O)CCc2ccc3c(c2)OCCO3)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is RKVOPKHZYXKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-14(25)21-20(16-5-3-2-4-6-16)24-22(29-21)23-19(26)10-8-15-7-9-17-18(13-15)28-12-11-27-17/h2-7,9,13H,8,10-12H2,1H3,(H,23,24,26).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 408.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 24555160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).