N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide

C16H18FNO2S — CID 103029101

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H18FNO2S/c1-16(2,20-3)15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19)
InChIKeyWAZSYLQMHMHHPM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide (PubChem CID 103029101) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide
PubChem CID103029101
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H18FNO2S/c1-16(2,20-3)15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19)
InChIKeyWAZSYLQMHMHHPM-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24980020
N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
CID 4878729
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
CID 3704975
Acetamide, N-(2-phenyl-1-(2-thienyl)ethyl)-
CID 3061995
N1-(2-(4-fluorophenyl)-2-morpholinoethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18589272
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 25161531
N1-(4-fluorobenzyl)-N2-(1-(thiophen-2-yl)propan-2-yl)oxalamide
CID 45555213
N-[phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 45845812
N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
CID 56793655
N-ethyl-N'-[1-(3-methylthiophen-2-yl)-2-phenylethyl]butanediamide
CID 72008466
2-[2-[[1-(3-Methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 72130660
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 73167963

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide (CID 103029101) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is WAZSYLQMHMHHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,20-3)15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103029101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).