N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide

C14H13N5O2S — CID 2222270

IUPACN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide
SMILESO=C(NCCSc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C14H13N5O2S/c20-13(12-7-4-9-21-12)15-8-10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,15,20)
InChIKeyFSWSIHBQDSXEBQ-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide

N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide (PubChem CID 2222270) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide
PubChem CID2222270
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide
SMILESO=C(NCCSc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C14H13N5O2S/c20-13(12-7-4-9-21-12)15-8-10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,15,20)
InChIKeyFSWSIHBQDSXEBQ-UHFFFAOYSA-N
XLogP1.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-{[1-(2-Ethoxyphenyl)-1,2,3,4-tetrazol-5-YL]sulfanyl}-N-(furan-2-ylmethyl)acetamide
CID 1081029
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
1-(Furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336427
Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
Furan-2-carboxylic acid (3-{2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 652737
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-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-{[1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrazol-5-YL]sulfanyl}-1-[4-(furan-2-carbonyl)piperazin-1-YL]ethanone
CID 1175640
N-{[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide
CID 1262218

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide (CID 2222270) is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide is O=C(NCCSc1nnnn1-c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide?
The InChIKey is FSWSIHBQDSXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c20-13(12-7-4-9-21-12)15-8-10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,15,20).
What are the key properties of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide?
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]furan-2-carboxamide is sourced from PubChem (CID 2222270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).