N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide

C16H19FN2OS — CID 18161860

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F
InChIInChI=1S/C16H19FN2OS/c1-11-6-7-12(9-13(11)17)16(20)18-10-14(19(2)3)15-5-4-8-21-15/h4-9,14H,10H2,1-3H3,(H,18,20)
InChIKeyHIZZQAKKFLDMCL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide (PubChem CID 18161860) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
PubChem CID18161860
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F
InChIInChI=1S/C16H19FN2OS/c1-11-6-7-12(9-13(11)17)16(20)18-10-14(19(2)3)15-5-4-8-21-15/h4-9,14H,10H2,1-3H3,(H,18,20)
InChIKeyHIZZQAKKFLDMCL-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylsulfanyl-3-nitrobenzamide
CID 4808886
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide (CID 18161860) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is HIZZQAKKFLDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-11-6-7-12(9-13(11)17)16(20)18-10-14(19(2)3)15-5-4-8-21-15/h4-9,14H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 3.23, 5 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]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 18161860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).