2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide

C16H17N3O4S — CID 126854788

IUPAC2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccco1
InChIInChI=1S/C16H17N3O4S/c20-16(17-10-13-4-3-9-23-13)11-18-14-5-1-2-6-15(14)19(12-7-8-12)24(18,21)22/h1-6,9,12H,7-8,10-11H2,(H,17,20)
InChIKeyCPWHHEJQWNZILX-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 126854788) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID126854788
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccco1
InChIInChI=1S/C16H17N3O4S/c20-16(17-10-13-4-3-9-23-13)11-18-14-5-1-2-6-15(14)19(12-7-8-12)24(18,21)22/h1-6,9,12H,7-8,10-11H2,(H,17,20)
InChIKeyCPWHHEJQWNZILX-UHFFFAOYSA-N
XLogP1.63
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 126854787
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 108996316
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 2145420
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 44777449

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 126854788) is 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccco1.
What is the InChIKey of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CPWHHEJQWNZILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-16(17-10-13-4-3-9-23-13)11-18-14-5-1-2-6-15(14)19(12-7-8-12)24(18,21)22/h1-6,9,12H,7-8,10-11H2,(H,17,20).
What are the key properties of 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 126854788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).