N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide

C17H21NO4S2 — CID 56511437

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H21NO4S2/c1-4-13-6-8-16(23-13)24(19,20)18-17(2,3)12-5-7-14-15(11-12)22-10-9-21-14/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyBSQICDFMEFOHLT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide (PubChem CID 56511437) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
PubChem CID56511437
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C17H21NO4S2/c1-4-13-6-8-16(23-13)24(19,20)18-17(2,3)12-5-7-14-15(11-12)22-10-9-21-14/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyBSQICDFMEFOHLT-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 113091653
N-[2-(4-methoxyphenyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091712
5-ethyl-N-(2,4,4-trimethylpentan-2-yl)thiophene-2-sulfonamide
CID 60530946
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 56511564
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561897
N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 105060223
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 110751341
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 39388201
N-(1-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 64555652
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide (CID 56511437) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is BSQICDFMEFOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-4-13-6-8-16(23-13)24(19,20)18-17(2,3)12-5-7-14-15(11-12)22-10-9-21-14/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 367.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 56511437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).