methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate

C15H16ClNO2S — CID 90773557

IUPACmethyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-10(14-4-3-7-20-14)17-12-6-5-11(13(16)9-12)8-15(18)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyUZJDTZFZEFPBAV-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.29
Rot. Bonds5

About methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate

methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate (PubChem CID 90773557) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate
PubChem CID90773557
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Namemethyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-10(14-4-3-7-20-14)17-12-6-5-11(13(16)9-12)8-15(18)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyUZJDTZFZEFPBAV-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 43727172
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
6-(2-methoxyethoxy)-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43688399
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 9198127
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
N-[(4-bromo-2-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 115651396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate?
The IUPAC name of methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate (CID 90773557) is methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate is COC(=O)Cc1ccc(NC(C)c2cccs2)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate?
The InChIKey is UZJDTZFZEFPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10(14-4-3-7-20-14)17-12-6-5-11(13(16)9-12)8-15(18)19-2/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate?
methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate has a molecular weight of 309.82 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate is sourced from PubChem (CID 90773557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).