N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide

C12H20N2OS — CID 51072640

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-4-6-12(15)13-9-10(14(2)3)11-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,13,15)
InChIKeyZOBLYMJVBQSECC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.27
Rot. Bonds6

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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide (PubChem CID 51072640) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
PubChem CID51072640
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-4-6-12(15)13-9-10(14(2)3)11-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,13,15)
InChIKeyZOBLYMJVBQSECC-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 43006707
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide (CID 51072640) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide is CCCC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide?
The InChIKey is ZOBLYMJVBQSECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-6-12(15)13-9-10(14(2)3)11-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 51072640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).