N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

C14H16F3N5O2S — CID 7563056

IUPACN-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O2S/c1-9(2)7-18-12(23)8-25-13-19-20-21-22(13)10-3-5-11(6-4-10)24-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,23)
InChIKeyASPODCCKMVXSDY-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.43
Rot. Bonds7

About N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 7563056) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID7563056
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC NameN-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O2S/c1-9(2)7-18-12(23)8-25-13-19-20-21-22(13)10-3-5-11(6-4-10)24-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,23)
InChIKeyASPODCCKMVXSDY-UHFFFAOYSA-N
XLogP2.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 7563056) is N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is CC(C)CNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ASPODCCKMVXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-9(2)7-18-12(23)8-25-13-19-20-21-22(13)10-3-5-11(6-4-10)24-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 375.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7563056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).