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

C16H19FN2O2S — CID 18161816

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F
InChIInChI=1S/C16H19FN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)11-6-7-14(21-3)12(17)9-11/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyIHCLAFBHQQPTGA-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.93
Rot. Bonds6

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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 18161816) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
PubChem CID18161816
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F
InChIInChI=1S/C16H19FN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)11-6-7-14(21-3)12(17)9-11/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyIHCLAFBHQQPTGA-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 26010349
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide (CID 18161816) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is IHCLAFBHQQPTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)11-6-7-14(21-3)12(17)9-11/h4-9,13H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 18161816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).