N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide

C19H25FN2OS — CID 110303228

IUPACN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
SMILESCN(C)C(C)(C)CNC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2OS/c1-19(2,22(3)4)13-21-18(23)17(12-16-6-5-11-24-16)14-7-9-15(20)10-8-14/h5-11,17H,12-13H2,1-4H3,(H,21,23)
InChIKeyHOUDOLWTGQTLQG-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide

N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 110303228) has the molecular formula C19H25FN2OS and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
PubChem CID110303228
Molecular FormulaC19H25FN2OS
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
SMILESCN(C)C(C)(C)CNC(=O)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2OS/c1-19(2,22(3)4)13-21-18(23)17(12-16-6-5-11-24-16)14-7-9-15(20)10-8-14/h5-11,17H,12-13H2,1-4H3,(H,21,23)
InChIKeyHOUDOLWTGQTLQG-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
CID 110310259
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide
CID 19877423
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110296640
N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110416393
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide (CID 110303228) is N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide is CN(C)C(C)(C)CNC(=O)C(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is HOUDOLWTGQTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2OS/c1-19(2,22(3)4)13-21-18(23)17(12-16-6-5-11-24-16)14-7-9-15(20)10-8-14/h5-11,17H,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide?
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 3.67, 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-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110303228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).