ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate

C15H17NO2S — CID 54903997

IUPACethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3
InChIKeyWOOWRKKQANDYPS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.07
Rot. Bonds6

About ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate

ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate (PubChem CID 54903997) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
PubChem CID54903997
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3
InChIKeyWOOWRKKQANDYPS-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
CID 54903925
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239577
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate (CID 54903997) is ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate is CCOC(=O)CNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate?
The InChIKey is WOOWRKKQANDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-18-15(17)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate?
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate has a molecular weight of 275.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate is sourced from PubChem (CID 54903997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).