2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide

C22H29N3OS — CID 94006411

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCN1CCN([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1
InChIInChI=1S/C22H29N3OS/c1-24-9-11-25(12-10-24)20(21-6-3-13-27-21)16-23-22(26)15-17-7-8-18-4-2-5-19(18)14-17/h3,6-8,13-14,20H,2,4-5,9-12,15-16H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyPVMZBNRCBALGLM-HXUWFJFHSA-N
MW383.56 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 94006411) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID94006411
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCN1CCN([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1
InChIInChI=1S/C22H29N3OS/c1-24-9-11-25(12-10-24)20(21-6-3-13-27-21)16-23-22(26)15-17-7-8-18-4-2-5-19(18)14-17/h3,6-8,13-14,20H,2,4-5,9-12,15-16H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyPVMZBNRCBALGLM-HXUWFJFHSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 112765064
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 94006411) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is CN1CCN([C@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is PVMZBNRCBALGLM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-24-9-11-25(12-10-24)20(21-6-3-13-27-21)16-23-22(26)15-17-7-8-18-4-2-5-19(18)14-17/h3,6-8,13-14,20H,2,4-5,9-12,15-16H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 383.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 94006411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).