N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C21H28N2O2S — CID 24640133

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)s2)N(C)C)cc1
InChIInChI=1S/C21H28N2O2S/c1-5-16-7-9-17(10-8-16)18(23(3)4)14-22-21(25)13-11-19(24)20-12-6-15(2)26-20/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,22,25)
InChIKeyIQWRGFXGXFBPAX-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.00
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 24640133) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID24640133
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)s2)N(C)C)cc1
InChIInChI=1S/C21H28N2O2S/c1-5-16-7-9-17(10-8-16)18(23(3)4)14-22-21(25)13-11-19(24)20-12-6-15(2)26-20/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,22,25)
InChIKeyIQWRGFXGXFBPAX-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55949740
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 34971634
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110623832
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 42907187
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 24640133) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is CCc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)s2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is IQWRGFXGXFBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-5-16-7-9-17(10-8-16)18(23(3)4)14-22-21(25)13-11-19(24)20-12-6-15(2)26-20/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 372.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 24640133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).