3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide

C17H25N3O3S — CID 43057620

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
SMILESNC(=O)CSCCC(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c18-16(21)13-24-11-6-17(22)19-12-15(14-4-2-1-3-5-14)20-7-9-23-10-8-20/h1-5,15H,6-13H2,(H2,18,21)(H,19,22)
InChIKeyWLEWREKWBOLISP-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.78
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide (PubChem CID 43057620) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
PubChem CID43057620
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
SMILESNC(=O)CSCCC(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c18-16(21)13-24-11-6-17(22)19-12-15(14-4-2-1-3-5-14)20-7-9-23-10-8-20/h1-5,15H,6-13H2,(H2,18,21)(H,19,22)
InChIKeyWLEWREKWBOLISP-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 60597341
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46482976
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
4-amino-3-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 120595532
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057549
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 42948394

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide (CID 43057620) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide is NC(=O)CSCCC(=O)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide?
The InChIKey is WLEWREKWBOLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-16(21)13-24-11-6-17(22)19-12-15(14-4-2-1-3-5-14)20-7-9-23-10-8-20/h1-5,15H,6-13H2,(H2,18,21)(H,19,22).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide has a molecular weight of 351.47 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide is sourced from PubChem (CID 43057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).