2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

C18H22F3N7OS — CID 78887562

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CSc3nnnn3C3CC3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N7OS/c1-26-6-8-27(9-7-26)13-4-5-15(14(10-13)18(19,20)21)22-16(29)11-30-17-23-24-25-28(17)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,22,29)
InChIKeyFFFMUBODTHBSKX-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.51
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 78887562) has the molecular formula C18H22F3N7OS and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
PubChem CID78887562
Molecular FormulaC18H22F3N7OS
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CSc3nnnn3C3CC3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N7OS/c1-26-6-8-27(9-7-26)13-4-5-15(14(10-13)18(19,20)21)22-16(29)11-30-17-23-24-25-28(17)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,22,29)
InChIKeyFFFMUBODTHBSKX-UHFFFAOYSA-N
XLogP2.51
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094013
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 51244889
3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (CID 78887562) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CSc3nnnn3C3CC3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FFFMUBODTHBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7OS/c1-26-6-8-27(9-7-26)13-4-5-15(14(10-13)18(19,20)21)22-16(29)11-30-17-23-24-25-28(17)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,22,29).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).