N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H18N6O4S — CID 2608862

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H18N6O4S/c1-11-5-6-14(26-2)13(8-11)23-17(20-21-22-23)28-10-15(24)19-16(25)18-9-12-4-3-7-27-12/h3-8H,9-10H2,1-2H3,(H2,18,19,24,25)
InChIKeyUPRUUFPIQOAAEX-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.69
Rot. Bonds7

About N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2608862) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2608862
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H18N6O4S/c1-11-5-6-14(26-2)13(8-11)23-17(20-21-22-23)28-10-15(24)19-16(25)18-9-12-4-3-7-27-12/h3-8H,9-10H2,1-2H3,(H2,18,19,24,25)
InChIKeyUPRUUFPIQOAAEX-UHFFFAOYSA-N
XLogP1.69
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 662101
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 665419
Furan-2-carboxylic acid (3-{2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 652737
2-[5-(2-furyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxy-5-methy lphenyl)acetamide
CID 662806
2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
CID 666630
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621198
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3237510
2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 645812
N-[3-[[2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]furan-2-carboxamide
CID 647010
N-[3-(5-{[(Furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-tetrazol-1-yl)-phenyl]-propionamide
CID 648605

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2608862) is N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UPRUUFPIQOAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-11-5-6-14(26-2)13(8-11)23-17(20-21-22-23)28-10-15(24)19-16(25)18-9-12-4-3-7-27-12/h3-8H,9-10H2,1-2H3,(H2,18,19,24,25).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 402.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2608862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).