2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide

C17H20FN3O2S — CID 71974174

IUPAC2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1cc(NCC(=O)N(C)Cc2cccs2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-20(2)17(23)14-9-12(6-7-15(14)18)19-10-16(22)21(3)11-13-5-4-8-24-13/h4-9,19H,10-11H2,1-3H3
InChIKeyARZWJSLWNVUBES-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.66
Rot. Bonds6

About 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide

2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 71974174) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
PubChem CID71974174
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1cc(NCC(=O)N(C)Cc2cccs2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-20(2)17(23)14-9-12(6-7-15(14)18)19-10-16(22)21(3)11-13-5-4-8-24-13/h4-9,19H,10-11H2,1-3H3
InChIKeyARZWJSLWNVUBES-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 71862477
5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
CID 71978167
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
2-[4-(azepan-1-ylsulfonyl)anilino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78795390
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 38562903
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide (CID 71974174) is 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide is CN(C)C(=O)c1cc(NCC(=O)N(C)Cc2cccs2)ccc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is ARZWJSLWNVUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-20(2)17(23)14-9-12(6-7-15(14)18)19-10-16(22)21(3)11-13-5-4-8-24-13/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 71974174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).