N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide

C32H35N3O2S — CID 42504511

IUPACN-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
SMILESCCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H35N3O2S/c1-3-28-23-29(32(38-28)33-31(36)25-11-7-5-8-12-25)30(24-15-17-27(18-16-24)37-4-2)35-21-19-34(20-22-35)26-13-9-6-10-14-26/h5-18,23,30H,3-4,19-22H2,1-2H3,(H,33,36)/t30-/m1/s1
InChIKeyCNKIEQBJIAKYBT-SSEXGKCCSA-N
MW525.72 g/mol
LogP6.87
Rot. Bonds9

About N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide

N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide (PubChem CID 42504511) has the molecular formula C32H35N3O2S and a molecular weight of 525.72 g/mol. Its IUPAC name is N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
PubChem CID42504511
Molecular FormulaC32H35N3O2S
Molecular Weight525.72 g/mol
Exact Mass525.24
IUPAC NameN-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
SMILESCCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H35N3O2S/c1-3-28-23-29(32(38-28)33-31(36)25-11-7-5-8-12-25)30(24-15-17-27(18-16-24)37-4-2)35-21-19-34(20-22-35)26-13-9-6-10-14-26/h5-18,23,30H,3-4,19-22H2,1-2H3,(H,33,36)/t30-/m1/s1
InChIKeyCNKIEQBJIAKYBT-SSEXGKCCSA-N
XLogP6.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.72
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide 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

N-[5-ethyl-3-[(4-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
CID 3542310
N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide
CID 1416890
N-[3-[(S)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 1416884
N-[5-ethyl-3-[(R)-morpholin-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]benzamide
CID 35140651
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide
CID 2142270
N-[3-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 1382486
N-[3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-5-ethylthiophen-2-yl]benzamide
CID 2062540
ethyl 4-[(R)-(2-benzamido-5-ethylthiophen-3-yl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate
CID 1416904
N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416567
N-[3-[(R)-(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-ethylthiophen-2-yl]benzamide
CID 28746863
N-[3-[(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4671763
N-[3-[(R)-(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 42373623

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide (CID 42504511) is N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide is CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide?
The InChIKey is CNKIEQBJIAKYBT-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H35N3O2S/c1-3-28-23-29(32(38-28)33-31(36)25-11-7-5-8-12-25)30(24-15-17-27(18-16-24)37-4-2)35-21-19-34(20-22-35)26-13-9-6-10-14-26/h5-18,23,30H,3-4,19-22H2,1-2H3,(H,33,36)/t30-/m1/s1.
What are the key properties of N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide?
N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide has a molecular weight of 525.72 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide is sourced from PubChem (CID 42504511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).