N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide

C20H26N2O2S — CID 18167087

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H26N2O2S/c1-3-22(4-2)17(16-9-6-5-7-10-16)15-21-20(24)13-12-18(23)19-11-8-14-25-19/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,21,24)
InChIKeyJSFNRTNJTJZAOZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.91
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18167087) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18167087
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H26N2O2S/c1-3-22(4-2)17(16-9-6-5-7-10-16)15-21-20(24)13-12-18(23)19-11-8-14-25-19/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,21,24)
InChIKeyJSFNRTNJTJZAOZ-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799608
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 18167087) is N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide is CCN(CC)C(CNC(=O)CCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is JSFNRTNJTJZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-22(4-2)17(16-9-6-5-7-10-16)15-21-20(24)13-12-18(23)19-11-8-14-25-19/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 358.51 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18167087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).