N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H14N6O3S — CID 2621198

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H14N6O3S/c22-13(17-14(23)16-9-12-7-4-8-24-12)10-25-15-18-19-20-21(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,17,22,23)
InChIKeyFMKRAJAHUVUREP-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.37
Rot. Bonds6

About N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2621198) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2621198
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H14N6O3S/c22-13(17-14(23)16-9-12-7-4-8-24-12)10-25-15-18-19-20-21(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,17,22,23)
InChIKeyFMKRAJAHUVUREP-UHFFFAOYSA-N
XLogP1.37
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide
CID 1080944
N-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea
CID 990336
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
2-(5-Cyclohexyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 648868
Furan-2-carboxylic acid {3-[2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 654638
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 703016
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2083314
2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2086059

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2621198) is N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FMKRAJAHUVUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c22-13(17-14(23)16-9-12-7-4-8-24-12)10-25-15-18-19-20-21(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,17,22,23).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 358.38 g/mol, XLogP of 1.37, 6 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-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2621198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).