2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C18H23N3O2S — CID 8592090

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(13-17-3-2-12-24-17)14-18(22)19-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11,13-14H2,1H3,(H,19,22)
InChIKeyMPMAEVXCHCTVJX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.66
Rot. Bonds6

About 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8592090) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8592090
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(13-17-3-2-12-24-17)14-18(22)19-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11,13-14H2,1H3,(H,19,22)
InChIKeyMPMAEVXCHCTVJX-UHFFFAOYSA-N
XLogP2.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
N-(4-morpholin-4-ylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40790537
2-[[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411253
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354460
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8592090) is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MPMAEVXCHCTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(13-17-3-2-12-24-17)14-18(22)19-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11,13-14H2,1H3,(H,19,22).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8592090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).