4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide

C23H31N3O2S — CID 91042386

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1N1CCN(C)CC1)Sc1ccc(O)cc1
InChIInChI=1S/C23H31N3O2S/c1-18(29-21-10-8-20(27)9-11-21)7-12-23(28)24-17-19-5-3-4-6-22(19)26-15-13-25(2)14-16-26/h3-6,8-11,18,27H,7,12-17H2,1-2H3,(H,24,28)
InChIKeyIOBWVJGNEHCYNK-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.72
Rot. Bonds8

About 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide

4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide (PubChem CID 91042386) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
PubChem CID91042386
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1N1CCN(C)CC1)Sc1ccc(O)cc1
InChIInChI=1S/C23H31N3O2S/c1-18(29-21-10-8-20(27)9-11-21)7-12-23(28)24-17-19-5-3-4-6-22(19)26-15-13-25(2)14-16-26/h3-6,8-11,18,27H,7,12-17H2,1-2H3,(H,24,28)
InChIKeyIOBWVJGNEHCYNK-UHFFFAOYSA-N
XLogP3.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide with MolForge

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Related Compounds

4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91267866
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91427610
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 56517492
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56523285
4-(2,4-difluorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 56517196
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide (CID 91042386) is 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide is CC(CCC(=O)NCc1ccccc1N1CCN(C)CC1)Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The InChIKey is IOBWVJGNEHCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-18(29-21-10-8-20(27)9-11-21)7-12-23(28)24-17-19-5-3-4-6-22(19)26-15-13-25(2)14-16-26/h3-6,8-11,18,27H,7,12-17H2,1-2H3,(H,24,28).
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide has a molecular weight of 413.59 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 91042386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).