N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide

C15H15N3O3S — CID 71803965

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1ccc2nsnc2c1
InChIInChI=1S/C15H15N3O3S/c1-20-7-5-18(9-11-4-6-21-10-11)15(19)12-2-3-13-14(8-12)17-22-16-13/h2-4,6,8,10H,5,7,9H2,1H3
InChIKeyHZTYQXCUOQBLGG-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.57
Rot. Bonds6

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71803965) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71803965
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1ccc2nsnc2c1
InChIInChI=1S/C15H15N3O3S/c1-20-7-5-18(9-11-4-6-21-10-11)15(19)12-2-3-13-14(8-12)17-22-16-13/h2-4,6,8,10H,5,7,9H2,1H3
InChIKeyHZTYQXCUOQBLGG-UHFFFAOYSA-N
XLogP2.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 90582669
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 71803989
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 73167845
3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582837
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 3511654
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90582750
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582835
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 71803965) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide is COCCN(Cc1ccoc1)C(=O)c1ccc2nsnc2c1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is HZTYQXCUOQBLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-7-5-18(9-11-4-6-21-10-11)15(19)12-2-3-13-14(8-12)17-22-16-13/h2-4,6,8,10H,5,7,9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71803965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).