N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide

C17H22N2OS — CID 16931154

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
SMILESCN(C)C(CNC(=O)CCc1ccccc1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-19(2)16(15-10-11-21-13-15)12-18-17(20)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyFQXIVKDBRAIHPA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide (PubChem CID 16931154) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
PubChem CID16931154
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
SMILESCN(C)C(CNC(=O)CCc1ccccc1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-19(2)16(15-10-11-21-13-15)12-18-17(20)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyFQXIVKDBRAIHPA-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 46592129
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 51958555
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46592044
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide (CID 16931154) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide is CN(C)C(CNC(=O)CCc1ccccc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The InChIKey is FQXIVKDBRAIHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(2)16(15-10-11-21-13-15)12-18-17(20)9-8-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 3.10, 7 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-3-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 16931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).