N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide

C13H18N2O3S — CID 84596800

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O3S/c16-12(2-1-11-3-8-19-10-11)14-9-13(17)15-4-6-18-7-5-15/h3,8,10H,1-2,4-7,9H2,(H,14,16)
InChIKeyZVFIWYUIUAIYMQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.66
Rot. Bonds5

About N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide

N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide (PubChem CID 84596800) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
PubChem CID84596800
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O3S/c16-12(2-1-11-3-8-19-10-11)14-9-13(17)15-4-6-18-7-5-15/h3,8,10H,1-2,4-7,9H2,(H,14,16)
InChIKeyZVFIWYUIUAIYMQ-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099
3-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 110712379
N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
CID 18118510
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
2-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 75445681
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 134043866
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide (CID 84596800) is N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide?
The InChIKey is ZVFIWYUIUAIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-12(2-1-11-3-8-19-10-11)14-9-13(17)15-4-6-18-7-5-15/h3,8,10H,1-2,4-7,9H2,(H,14,16).
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide?
N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 84596800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).