N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C16H17N5O2S — CID 30552387

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-5-7-13(8-6-12)21-16(17-18-19-21)24-11-15(22)20(2)10-14-4-3-9-23-14/h3-9H,10-11H2,1-2H3
InChIKeyCHYZUCIJUVLDKZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.31
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 30552387) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID30552387
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-5-7-13(8-6-12)21-16(17-18-19-21)24-11-15(22)20(2)10-14-4-3-9-23-14/h3-9H,10-11H2,1-2H3
InChIKeyCHYZUCIJUVLDKZ-UHFFFAOYSA-N
XLogP2.31
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792
N-(furan-2-ylmethyl)-N-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29461174
N-methyl-N-[(4-methylphenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659039
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27916819
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601182
2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 24566048
2-[methyl-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 2615623
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7532918
N-(furan-2-ylmethyl)-N-methyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40681881
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40741981
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 30552387) is N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CHYZUCIJUVLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-5-7-13(8-6-12)21-16(17-18-19-21)24-11-15(22)20(2)10-14-4-3-9-23-14/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 343.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 30552387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).