N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide

C21H29N3OS — CID 51728290

IUPACN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
SMILESCN1CCN([C@H](CNC(=O)CCCc2ccccc2)c2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c1-23-12-14-24(15-13-23)19(20-10-6-16-26-20)17-22-21(25)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyNQUASCYOMAHBIR-LJQANCHMSA-N
MW371.55 g/mol
LogP3.18
Rot. Bonds8

About N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide

N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide (PubChem CID 51728290) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
PubChem CID51728290
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
SMILESCN1CCN([C@H](CNC(=O)CCCc2ccccc2)c2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c1-23-12-14-24(15-13-23)19(20-10-6-16-26-20)17-22-21(25)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyNQUASCYOMAHBIR-LJQANCHMSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 110622453
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea
CID 30726015
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
1-benzyl-3-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 30726004
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
(E)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-phenylbut-2-enamide
CID 110303053
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94006411
1-[2-(4-fluorophenyl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 47022400

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide (CID 51728290) is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide is CN1CCN([C@H](CNC(=O)CCCc2ccccc2)c2cccs2)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide?
The InChIKey is NQUASCYOMAHBIR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-23-12-14-24(15-13-23)19(20-10-6-16-26-20)17-22-21(25)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide?
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide has a molecular weight of 371.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide is sourced from PubChem (CID 51728290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).