2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C17H29N3O2S — CID 51544470

IUPAC2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCc1ccsc1CN(C)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H29N3O2S/c1-14-5-10-23-15(14)11-19(4)12-16(21)18-13-17(2,3)20-6-8-22-9-7-20/h5,10H,6-9,11-13H2,1-4H3,(H,18,21)
InChIKeyKEXSNWCKTBZFMV-UHFFFAOYSA-N
MW339.51 g/mol
LogP1.72
Rot. Bonds7

About 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 51544470) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID51544470
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCc1ccsc1CN(C)CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H29N3O2S/c1-14-5-10-23-15(14)11-19(4)12-16(21)18-13-17(2,3)20-6-8-22-9-7-20/h5,10H,6-9,11-13H2,1-4H3,(H,18,21)
InChIKeyKEXSNWCKTBZFMV-UHFFFAOYSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 51544470) is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is Cc1ccsc1CN(C)CC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is KEXSNWCKTBZFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14-5-10-23-15(14)11-19(4)12-16(21)18-13-17(2,3)20-6-8-22-9-7-20/h5,10H,6-9,11-13H2,1-4H3,(H,18,21).
What are the key properties of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 339.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 51544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).