N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide

C16H17NO5S2 — CID 75415179

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C16H17NO5S2/c1-3-14-10(2)8-15(23-14)16(18)17-24(19,20)11-4-5-12-13(9-11)22-7-6-21-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyNRCYJTGVSIKPFR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.51
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 75415179) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID75415179
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C16H17NO5S2/c1-3-14-10(2)8-15(23-14)16(18)17-24(19,20)11-4-5-12-13(9-11)22-7-6-21-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyNRCYJTGVSIKPFR-UHFFFAOYSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)sulfanylacetamide
CID 71894507
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
CID 75403977
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 65113353
N-(1-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 64555652
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide
CID 71941167
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-(1,3-benzodioxol-5-ylsulfonyl)-4-chloro-2-methylbenzamide
CID 10020985

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 75415179) is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is NRCYJTGVSIKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-3-14-10(2)8-15(23-14)16(18)17-24(19,20)11-4-5-12-13(9-11)22-7-6-21-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.51, 4 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-ylsulfonyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 75415179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).