2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide

C17H27N3O3S — CID 120796894

IUPAC2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC(c1cccs1)N1CCOCC1)C1CCOCC1
InChIInChI=1S/C17H27N3O3S/c18-16(13-3-7-22-8-4-13)17(21)19-12-14(15-2-1-11-24-15)20-5-9-23-10-6-20/h1-2,11,13-14,16H,3-10,12,18H2,(H,19,21)
InChIKeyXOHFOLVMAZVXNX-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide

2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide (PubChem CID 120796894) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
PubChem CID120796894
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC(c1cccs1)N1CCOCC1)C1CCOCC1
InChIInChI=1S/C17H27N3O3S/c18-16(13-3-7-22-8-4-13)17(21)19-12-14(15-2-1-11-24-15)20-5-9-23-10-6-20/h1-2,11,13-14,16H,3-10,12,18H2,(H,19,21)
InChIKeyXOHFOLVMAZVXNX-UHFFFAOYSA-N
XLogP0.99
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 120797019
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 30468496
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide (CID 120796894) is 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide is NC(C(=O)NCC(c1cccs1)N1CCOCC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is XOHFOLVMAZVXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c18-16(13-3-7-22-8-4-13)17(21)19-12-14(15-2-1-11-24-15)20-5-9-23-10-6-20/h1-2,11,13-14,16H,3-10,12,18H2,(H,19,21).
What are the key properties of 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 353.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).