N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C13H12N6O3S — CID 9128205

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C13H12N6O3S/c20-11(15-13(21)14-6-10-2-1-4-22-10)7-19-17-12(16-18-19)9-3-5-23-8-9/h1-5,8H,6-7H2,(H2,14,15,20,21)
InChIKeyPEPLCGBEKVKCGX-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.02
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128205) has the molecular formula C13H12N6O3S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128205
Molecular FormulaC13H12N6O3S
Molecular Weight332.34 g/mol
Exact Mass332.07
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C13H12N6O3S/c20-11(15-13(21)14-6-10-2-1-4-22-10)7-19-17-12(16-18-19)9-3-5-23-8-9/h1-5,8H,6-7H2,(H2,14,15,20,21)
InChIKeyPEPLCGBEKVKCGX-UHFFFAOYSA-N
XLogP1.02
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-furylmethyl)-2-[5-(2-thienyl)-2H-tetrazol-2-yl]acetamide
CID 862079
N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-thiophen-2-yl-acetamide
CID 647158
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
N-(2-furylmethyl)-2-{[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 860469
N-tert-Butyl-2-(furan-2-ylmethyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 647537
N-(2-furylmethyl)-3-phenyl-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2204898
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2586397
N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 3174667
N-Cyclopentyl-2-(furan-2-ylmethyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 3174820
N-tert-Butyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-p-tolyl-acetamide
CID 3190070

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128205) is N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccsc2)n1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is PEPLCGBEKVKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c20-11(15-13(21)14-6-10-2-1-4-22-10)7-19-17-12(16-18-19)9-3-5-23-8-9/h1-5,8H,6-7H2,(H2,14,15,20,21).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 332.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).