2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C22H27N3O2S — CID 8552435

IUPAC2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H27N3O2S/c1-23(19-9-4-7-17-6-2-3-8-18(17)19)16-21(26)24-11-13-25(14-12-24)22(27)20-10-5-15-28-20/h2-3,5-6,8,10,15,19H,4,7,9,11-14,16H2,1H3/t19-/m1/s1
InChIKeyQEDONRVWXSUOBN-LJQANCHMSA-N
MW397.54 g/mol
LogP3.04
Rot. Bonds4

About 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 8552435) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID8552435
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H27N3O2S/c1-23(19-9-4-7-17-6-2-3-8-18(17)19)16-21(26)24-11-13-25(14-12-24)22(27)20-10-5-15-28-20/h2-3,5-6,8,10,15,19H,4,7,9,11-14,16H2,1H3/t19-/m1/s1
InChIKeyQEDONRVWXSUOBN-LJQANCHMSA-N
XLogP3.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone 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-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 134052196
2-[methyl(thiophen-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9054927
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26508107
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanone
CID 8680930
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 8552435) is 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QEDONRVWXSUOBN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-23(19-9-4-7-17-6-2-3-8-18(17)19)16-21(26)24-11-13-25(14-12-24)22(27)20-10-5-15-28-20/h2-3,5-6,8,10,15,19H,4,7,9,11-14,16H2,1H3/t19-/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 397.54 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8552435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).