N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C21H28N2O3S — CID 43006707

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-13-26-17-9-7-16(8-10-17)19(24)11-12-21(25)22-15-18(23(2)3)20-6-5-14-27-20/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,22,25)
InChIKeyXQNWFQDJQVYVCY-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.92
Rot. Bonds11

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 43006707) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID43006707
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-13-26-17-9-7-16(8-10-17)19(24)11-12-21(25)22-15-18(23(2)3)20-6-5-14-27-20/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,22,25)
InChIKeyXQNWFQDJQVYVCY-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4808882
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 43006707) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is XQNWFQDJQVYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-13-26-17-9-7-16(8-10-17)19(24)11-12-21(25)22-15-18(23(2)3)20-6-5-14-27-20/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 388.53 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 43006707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).