N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide

C18H30N2O2S — CID 134053099

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
SMILESCCC(CC)C(CNC(=O)CCc1ccsc1)N1CCOCC1
InChIInChI=1S/C18H30N2O2S/c1-3-16(4-2)17(20-8-10-22-11-9-20)13-19-18(21)6-5-15-7-12-23-14-15/h7,12,14,16-17H,3-6,8-11,13H2,1-2H3,(H,19,21)
InChIKeyCIWRZDKHMICGBH-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.93
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide (PubChem CID 134053099) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
PubChem CID134053099
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
SMILESCCC(CC)C(CNC(=O)CCc1ccsc1)N1CCOCC1
InChIInChI=1S/C18H30N2O2S/c1-3-16(4-2)17(20-8-10-22-11-9-20)13-19-18(21)6-5-15-7-12-23-14-15/h7,12,14,16-17H,3-6,8-11,13H2,1-2H3,(H,19,21)
InChIKeyCIWRZDKHMICGBH-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
CID 84596800
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43049020
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
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N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
3-(2,5-dimethoxyphenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 46539482
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42943235
6-acetamido-N-(3-ethyl-2-morpholin-4-ylpentyl)hexanamide
CID 55634041
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CID 120595092

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide (CID 134053099) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide is CCC(CC)C(CNC(=O)CCc1ccsc1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide?
The InChIKey is CIWRZDKHMICGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-3-16(4-2)17(20-8-10-22-11-9-20)13-19-18(21)6-5-15-7-12-23-14-15/h7,12,14,16-17H,3-6,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide has a molecular weight of 338.52 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 134053099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).