N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide

C23H33N3OS — CID 110302964

IUPACN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(C(CNC(=O)CCCCc2cccs2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H33N3OS/c1-19-9-11-20(12-10-19)22(26-15-13-25(2)14-16-26)18-24-23(27)8-4-3-6-21-7-5-17-28-21/h5,7,9-12,17,22H,3-4,6,8,13-16,18H2,1-2H3,(H,24,27)
InChIKeyGPGPIEVGKJJSFK-UHFFFAOYSA-N
MW399.60 g/mol
LogP3.87
Rot. Bonds9

About N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide

N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide (PubChem CID 110302964) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
PubChem CID110302964
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(C(CNC(=O)CCCCc2cccs2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H33N3OS/c1-19-9-11-20(12-10-19)22(26-15-13-25(2)14-16-26)18-24-23(27)8-4-3-6-21-7-5-17-28-21/h5,7,9-12,17,22H,3-4,6,8,13-16,18H2,1-2H3,(H,24,27)
InChIKeyGPGPIEVGKJJSFK-UHFFFAOYSA-N
XLogP3.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 53.87
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

3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110302956
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110622313
(E)-2-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 110302966
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 43005713
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
(2E)-2-benzylidene-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 110302969
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide (CID 110302964) is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide is Cc1ccc(C(CNC(=O)CCCCc2cccs2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The InChIKey is GPGPIEVGKJJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-19-9-11-20(12-10-19)22(26-15-13-25(2)14-16-26)18-24-23(27)8-4-3-6-21-7-5-17-28-21/h5,7,9-12,17,22H,3-4,6,8,13-16,18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide has a molecular weight of 399.60 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110302964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).