N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C18H24N2O2S2 — CID 4808882

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)c(C)s1
InChIInChI=1S/C18H24N2O2S2/c1-12-10-14(13(2)24-12)16(21)7-8-18(22)19-11-15(20(3)4)17-6-5-9-23-17/h5-6,9-10,15H,7-8,11H2,1-4H3,(H,19,22)
InChIKeyUYKGHPCFXBZQKN-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 4808882) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID4808882
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)c(C)s1
InChIInChI=1S/C18H24N2O2S2/c1-12-10-14(13(2)24-12)16(21)7-8-18(22)19-11-15(20(3)4)17-6-5-9-23-17/h5-6,9-10,15H,7-8,11H2,1-4H3,(H,19,22)
InChIKeyUYKGHPCFXBZQKN-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55949740
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]-4-hydroxypentanamide
CID 79200485
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 43006707
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 4808882) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)NCC(c2cccs2)N(C)C)c(C)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is UYKGHPCFXBZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-12-10-14(13(2)24-12)16(21)7-8-18(22)19-11-15(20(3)4)17-6-5-9-23-17/h5-6,9-10,15H,7-8,11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 364.54 g/mol, XLogP of 3.81, 8 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-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 4808882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).