2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone

C17H23N3O2S — CID 75438432

IUPAC2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cccn1Cc1cccs1
InChIInChI=1S/C17H23N3O2S/c1-18(14-17(21)19-7-9-22-10-8-19)12-15-4-2-6-20(15)13-16-5-3-11-23-16/h2-6,11H,7-10,12-14H2,1H3
InChIKeyNAZVBVZIVARAAG-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.89
Rot. Bonds6

About 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone

2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone (PubChem CID 75438432) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
PubChem CID75438432
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cccn1Cc1cccs1
InChIInChI=1S/C17H23N3O2S/c1-18(14-17(21)19-7-9-22-10-8-19)12-15-4-2-6-20(15)13-16-5-3-11-23-16/h2-6,11H,7-10,12-14H2,1H3
InChIKeyNAZVBVZIVARAAG-UHFFFAOYSA-N
XLogP1.89
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone 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-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
1-(1,4-diazepan-1-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79476598
3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
CID 131720366
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8693276
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 126795760
1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
CID 87054491
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420641
2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60501294
2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570856

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone (CID 75438432) is 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1cccn1Cc1cccs1.
What is the InChIKey of 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is NAZVBVZIVARAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-18(14-17(21)19-7-9-22-10-8-19)12-15-4-2-6-20(15)13-16-5-3-11-23-16/h2-6,11H,7-10,12-14H2,1H3.
What are the key properties of 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 333.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 75438432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).