N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide

C22H21NO4S — CID 19471601

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21NO4S/c1-14-3-4-15(2)19(9-14)27-12-16-10-21(28-13-16)22(24)23-17-5-6-18-20(11-17)26-8-7-25-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyPCXFJKUORZLGCM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.97
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19471601) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19471601
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21NO4S/c1-14-3-4-15(2)19(9-14)27-12-16-10-21(28-13-16)22(24)23-17-5-6-18-20(11-17)26-8-7-25-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyPCXFJKUORZLGCM-UHFFFAOYSA-N
XLogP4.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499191
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 19484399
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776790
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19471601) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is PCXFJKUORZLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-14-3-4-15(2)19(9-14)27-12-16-10-21(28-13-16)22(24)23-17-5-6-18-20(11-17)26-8-7-25-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19471601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).