N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

C20H18N2O4S — CID 87004703

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2O1
InChIInChI=1S/C20H18N2O4S/c1-20(2)25-17-8-7-13(9-18(17)26-20)22-19(23)15-5-3-4-6-16(15)24-10-14-11-27-12-21-14/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeyWKUJOGAXIREHDD-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.48
Rot. Bonds5

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 87004703) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID87004703
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2O1
InChIInChI=1S/C20H18N2O4S/c1-20(2)25-17-8-7-13(9-18(17)26-20)22-19(23)15-5-3-4-6-16(15)24-10-14-11-27-12-21-14/h3-9,11-12H,10H2,1-2H3,(H,22,23)
InChIKeyWKUJOGAXIREHDD-UHFFFAOYSA-N
XLogP4.48
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87042478
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280414
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzodioxol-5-amine
CID 61168858
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86979350
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 87004703) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is CC1(C)Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is WKUJOGAXIREHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-20(2)25-17-8-7-13(9-18(17)26-20)22-19(23)15-5-3-4-6-16(15)24-10-14-11-27-12-21-14/h3-9,11-12H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 382.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 87004703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).