N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H22N2O5S — CID 55570650

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc3c(c2)OCCO3)ccc1OCc1cscn1
InChIInChI=1S/C22H22N2O5S/c1-14(15-3-5-19-21(9-15)28-8-7-27-19)24-22(25)16-4-6-18(20(10-16)26-2)29-11-17-12-30-13-23-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,25)
InChIKeyXIYVDAFSPXCHJW-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.99
Rot. Bonds7

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55570650) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55570650
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc3c(c2)OCCO3)ccc1OCc1cscn1
InChIInChI=1S/C22H22N2O5S/c1-14(15-3-5-19-21(9-15)28-8-7-27-19)24-22(25)16-4-6-18(20(10-16)26-2)29-11-17-12-30-13-23-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,25)
InChIKeyXIYVDAFSPXCHJW-UHFFFAOYSA-N
XLogP3.99
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 43026289
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55360581
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybenzamide
CID 18155824
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55360928
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55570650) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NC(C)c2ccc3c(c2)OCCO3)ccc1OCc1cscn1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is XIYVDAFSPXCHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-14(15-3-5-19-21(9-15)28-8-7-27-19)24-22(25)16-4-6-18(20(10-16)26-2)29-11-17-12-30-13-23-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 426.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55570650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).