2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide

C27H35N5OS — CID 55653220

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CSc3nccn3-c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C27H35N5OS/c1-21-7-4-9-24(19-21)31-17-15-30(16-18-31)13-6-11-28-26(33)20-34-27-29-12-14-32(27)25-10-5-8-22(2)23(25)3/h4-5,7-10,12,14,19H,6,11,13,15-18,20H2,1-3H3,(H,28,33)
InChIKeySKCRDTJAXFOHMY-UHFFFAOYSA-N
MW477.68 g/mol
LogP4.22
Rot. Bonds9

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 55653220) has the molecular formula C27H35N5OS and a molecular weight of 477.68 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID55653220
Molecular FormulaC27H35N5OS
Molecular Weight477.68 g/mol
Exact Mass477.26
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CSc3nccn3-c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C27H35N5OS/c1-21-7-4-9-24(19-21)31-17-15-30(16-18-31)13-6-11-28-26(33)20-34-27-29-12-14-32(27)25-10-5-8-22(2)23(25)3/h4-5,7-10,12,14,19H,6,11,13,15-18,20H2,1-3H3,(H,28,33)
InChIKeySKCRDTJAXFOHMY-UHFFFAOYSA-N
XLogP4.22
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826376
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (CID 55653220) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is Cc1cccc(N2CCN(CCCNC(=O)CSc3nccn3-c3cccc(C)c3C)CC2)c1.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is SKCRDTJAXFOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5OS/c1-21-7-4-9-24(19-21)31-17-15-30(16-18-31)13-6-11-28-26(33)20-34-27-29-12-14-32(27)25-10-5-8-22(2)23(25)3/h4-5,7-10,12,14,19H,6,11,13,15-18,20H2,1-3H3,(H,28,33).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 477.68 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 55653220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).