5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide

C21H19NO4S — CID 37344996

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C21H19NO4S/c1-13-3-5-16(24-2)15(11-13)22-21(23)20-8-7-19(27-20)14-4-6-17-18(12-14)26-10-9-25-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyRLGZUVXXMKGINN-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.76
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 37344996) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
PubChem CID37344996
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C21H19NO4S/c1-13-3-5-16(24-2)15(11-13)22-21(23)20-8-7-19(27-20)14-4-6-17-18(12-14)26-10-9-25-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyRLGZUVXXMKGINN-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
5-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336892
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 112761766
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxy-5-methylbenzamide
CID 34053840
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 55879229
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33004158
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 31772594
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide (CID 37344996) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is RLGZUVXXMKGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-13-3-5-16(24-2)15(11-13)22-21(23)20-8-7-19(27-20)14-4-6-17-18(12-14)26-10-9-25-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 37344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).