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

C25H29N3OS — CID 8798410

IUPACN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
SMILESCN1CCN([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C25H29N3OS/c1-27-14-16-28(17-15-27)22(23-13-8-18-30-23)19-26-25(29)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-13,18,22,24H,14-17,19H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyVSGMIHUOQYTRNJ-JOCHJYFZSA-N
MW419.59 g/mol
LogP3.98
Rot. Bonds7

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

N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide (PubChem CID 8798410) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
PubChem CID8798410
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
SMILESCN1CCN([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C25H29N3OS/c1-27-14-16-28(17-15-27)22(23-13-8-18-30-23)19-26-25(29)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-13,18,22,24H,14-17,19H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyVSGMIHUOQYTRNJ-JOCHJYFZSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-phenylbut-2-enamide
CID 110303053
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 56516082
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 110622453
1-benzyl-3-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 30726004
1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea
CID 30726015
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 47007671
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
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]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide (CID 8798410) is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide is CN1CCN([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2cccs2)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide?
The InChIKey is VSGMIHUOQYTRNJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-27-14-16-28(17-15-27)22(23-13-8-18-30-23)19-26-25(29)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-13,18,22,24H,14-17,19H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide?
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide has a molecular weight of 419.59 g/mol, XLogP of 3.98, 7 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]-2,2-diphenylacetamide is sourced from PubChem (CID 8798410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).