2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane

C17H21NO4S — CID 143870432

IUPAC2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane
SMILESCC.COc1ccc(C(Nc2ccsc2C(C)=O)C(=O)O)cc1
InChIInChI=1S/C15H15NO4S.C2H6/c1-9(17)14-12(7-8-21-14)16-13(15(18)19)10-3-5-11(20-2)6-4-10;1-2/h3-8,13,16H,1-2H3,(H,18,19);1-2H3
InChIKeyJDJOOYSMUDHUOG-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.22
Rot. Bonds6

About 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane

2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane (PubChem CID 143870432) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane.

Molecular Properties

Compound Name2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane
PubChem CID143870432
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane
SMILESCC.COc1ccc(C(Nc2ccsc2C(C)=O)C(=O)O)cc1
InChIInChI=1S/C15H15NO4S.C2H6/c1-9(17)14-12(7-8-21-14)16-13(15(18)19)10-3-5-11(20-2)6-4-10;1-2/h3-8,13,16H,1-2H3,(H,18,19);1-2H3
InChIKeyJDJOOYSMUDHUOG-UHFFFAOYSA-N
XLogP4.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 58556932
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
ethane;2-(4-methoxyphenyl)-2-[(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)amino]acetic acid
CID 143870442
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane?
The IUPAC name of 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane (CID 143870432) is 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane.
What is the SMILES notation for 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane?
The canonical SMILES for 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane is CC.COc1ccc(C(Nc2ccsc2C(C)=O)C(=O)O)cc1.
What is the InChIKey of 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane?
The InChIKey is JDJOOYSMUDHUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S.C2H6/c1-9(17)14-12(7-8-21-14)16-13(15(18)19)10-3-5-11(20-2)6-4-10;1-2/h3-8,13,16H,1-2H3,(H,18,19);1-2H3.
What are the key properties of 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane?
2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane has a molecular weight of 335.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane is sourced from PubChem (CID 143870432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).