N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide

C17H14F3N5O2S — CID 16649456

IUPACN-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O2S/c1-27-12-6-4-5-11(9-12)21-15(26)10-28-16-22-23-24-25(16)14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyNTAQKIZOJKYMKF-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.42
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide

N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 16649456) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID16649456
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC NameN-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O2S/c1-27-12-6-4-5-11(9-12)21-15(26)10-28-16-22-23-24-25(16)14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyNTAQKIZOJKYMKF-UHFFFAOYSA-N
XLogP3.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 6491205
N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 6491229
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7660799
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
N-(3-fluoro-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5141094
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2609141
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 16649456) is N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide is COc1cccc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NTAQKIZOJKYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c1-27-12-6-4-5-11(9-12)21-15(26)10-28-16-22-23-24-25(16)14-8-3-2-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 409.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 16649456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).