methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate

C16H20N2O2S — CID 82887111

IUPACmethyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2ccccc2N(C)C)s1
InChIInChI=1S/C16H20N2O2S/c1-18(2)15-7-5-4-6-14(15)17-11-13-9-8-12(21-13)10-16(19)20-3/h4-9,17H,10-11H2,1-3H3
InChIKeyVNSBNABQXWDZRP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.14
Rot. Bonds6

About methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate (PubChem CID 82887111) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
PubChem CID82887111
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2ccccc2N(C)C)s1
InChIInChI=1S/C16H20N2O2S/c1-18(2)15-7-5-4-6-14(15)17-11-13-9-8-12(21-13)10-16(19)20-3/h4-9,17H,10-11H2,1-3H3
InChIKeyVNSBNABQXWDZRP-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate
CID 82894432
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
methyl 2-[5-[[(2-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 82894273
methyl 2-[5-[(2-cyano-3-methylanilino)methyl]thiophen-2-yl]acetate
CID 107803587
5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
CID 113281796
methyl 2-[5-[(4-chloro-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894934
methyl 2-[5-[(2,3,5-trifluoroanilino)methyl]thiophen-2-yl]acetate
CID 82887799
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887614
methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 83165921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate (CID 82887111) is methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNc2ccccc2N(C)C)s1.
What is the InChIKey of methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate?
The InChIKey is VNSBNABQXWDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(2)15-7-5-4-6-14(15)17-11-13-9-8-12(21-13)10-16(19)20-3/h4-9,17H,10-11H2,1-3H3.
What are the key properties of methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate has a molecular weight of 304.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82887111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).