N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide

C17H24F3N3OS — CID 55880920

IUPACN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N3OS/c1-3-10-25-12-16(24)21-15-5-4-13(11-14(15)17(18,19)20)23-8-6-22(2)7-9-23/h4-5,11H,3,6-10,12H2,1-2H3,(H,21,24)
InChIKeyHAKZOGSZXDRSHW-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.54
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide (PubChem CID 55880920) has the molecular formula C17H24F3N3OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
PubChem CID55880920
Molecular FormulaC17H24F3N3OS
Molecular Weight375.46 g/mol
Exact Mass375.16
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N3OS/c1-3-10-25-12-16(24)21-15-5-4-13(11-14(15)17(18,19)20)23-8-6-22(2)7-9-23/h4-5,11H,3,6-10,12H2,1-2H3,(H,21,24)
InChIKeyHAKZOGSZXDRSHW-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 78887562
3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182
2-chloro-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-5-methylsulfanylbenzamide
CID 55787776
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788086
2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788431
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944475

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide (CID 55880920) is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide is CCCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide?
The InChIKey is HAKZOGSZXDRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3OS/c1-3-10-25-12-16(24)21-15-5-4-13(11-14(15)17(18,19)20)23-8-6-22(2)7-9-23/h4-5,11H,3,6-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide?
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide has a molecular weight of 375.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 55880920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).