N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H17NO4S — CID 131701825

IUPACN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC(c1ccsc1)c1ccco1)C1COc2ccccc2O1
InChIInChI=1S/C19H17NO4S/c21-19(18-11-23-16-4-1-2-5-17(16)24-18)20-10-14(13-7-9-25-12-13)15-6-3-8-22-15/h1-9,12,14,18H,10-11H2,(H,20,21)
InChIKeyKWMXNYYNVYNZFW-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 131701825) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID131701825
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC(c1ccsc1)c1ccco1)C1COc2ccccc2O1
InChIInChI=1S/C19H17NO4S/c21-19(18-11-23-16-4-1-2-5-17(16)24-18)20-10-14(13-7-9-25-12-13)15-6-3-8-22-15/h1-9,12,14,18H,10-11H2,(H,20,21)
InChIKeyKWMXNYYNVYNZFW-UHFFFAOYSA-N
XLogP3.43
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97414430
N-[2-phenyl-2-[4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 69199366
N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 65031834
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methoxybutanoic acid
CID 103153088
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 86980925
N-(4-chloro-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114306218
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47250318
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62665744
N-(6-hydroxyhexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108808787
(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 131701825) is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCC(c1ccsc1)c1ccco1)C1COc2ccccc2O1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KWMXNYYNVYNZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(18-11-23-16-4-1-2-5-17(16)24-18)20-10-14(13-7-9-25-12-13)15-6-3-8-22-15/h1-9,12,14,18H,10-11H2,(H,20,21).
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 131701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).