N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide

C25H29N3OS — CID 16931437

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
SMILESCN1CCN(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccsc2)CC1
InChIInChI=1S/C25H29N3OS/c1-27-12-14-28(15-13-27)24(23-11-16-30-19-23)18-26-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,26,29)
InChIKeyKCIOOJPKDJETPK-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16931437) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16931437
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
SMILESCN1CCN(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccsc2)CC1
InChIInChI=1S/C25H29N3OS/c1-27-12-14-28(15-13-27)24(23-11-16-30-19-23)18-26-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,26,29)
InChIKeyKCIOOJPKDJETPK-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931487
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide (CID 16931437) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide is CN1CCN(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is KCIOOJPKDJETPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-27-12-14-28(15-13-27)24(23-11-16-30-19-23)18-26-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,16,19,24H,12-15,17-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 419.59 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16931437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).