N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

C21H19NO5S — CID 19499191

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19NO5S/c1-24-16-3-5-17(6-4-16)27-12-14-10-20(28-13-14)21(23)22-15-2-7-18-19(11-15)26-9-8-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)
InChIKeyKYHPBQZTNPETFT-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.36
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19499191) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19499191
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19NO5S/c1-24-16-3-5-17(6-4-16)27-12-14-10-20(28-13-14)21(23)22-15-2-7-18-19(11-15)26-9-8-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)
InChIKeyKYHPBQZTNPETFT-UHFFFAOYSA-N
XLogP4.36
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471601
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19484345
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 19484399
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19499191) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is KYHPBQZTNPETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-24-16-3-5-17(6-4-16)27-12-14-10-20(28-13-14)21(23)22-15-2-7-18-19(11-15)26-9-8-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 397.45 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19499191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).