N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

C17H17N5OS — CID 78815853

IUPACN-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCN(C(=O)CSCc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21(14-8-4-2-5-9-14)17(23)13-24-12-16-18-19-20-22(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyIOBPLNRRJMUOLH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.56
Rot. Bonds6

About N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (PubChem CID 78815853) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
PubChem CID78815853
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCN(C(=O)CSCc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-21(14-8-4-2-5-9-14)17(23)13-24-12-16-18-19-20-22(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyIOBPLNRRJMUOLH-UHFFFAOYSA-N
XLogP2.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 43049377
N-(4-hydroxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295614
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 87046366
N-(3-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 46572374
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
CID 75365740
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 16536113

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (CID 78815853) is N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is CN(C(=O)CSCc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is IOBPLNRRJMUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21(14-8-4-2-5-9-14)17(23)13-24-12-16-18-19-20-22(16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 78815853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).