2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid

C16H17NO5S — CID 71915606

IUPAC2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
SMILESCOc1ccsc1C(=O)NC(C)(COc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO5S/c1-16(15(19)20,10-22-11-6-4-3-5-7-11)17-14(18)13-12(21-2)8-9-23-13/h3-9H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRTDJVTPDNBHSTO-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.41
Rot. Bonds7

About 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid

2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid (PubChem CID 71915606) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
PubChem CID71915606
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
SMILESCOc1ccsc1C(=O)NC(C)(COc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO5S/c1-16(15(19)20,10-22-11-6-4-3-5-7-11)17-14(18)13-12(21-2)8-9-23-13/h3-9H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRTDJVTPDNBHSTO-UHFFFAOYSA-N
XLogP2.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 99644607
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
CID 110445987
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid?
The IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid (CID 71915606) is 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid.
What is the SMILES notation for 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid?
The canonical SMILES for 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid is COc1ccsc1C(=O)NC(C)(COc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid?
The InChIKey is RTDJVTPDNBHSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-16(15(19)20,10-22-11-6-4-3-5-7-11)17-14(18)13-12(21-2)8-9-23-13/h3-9H,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid?
2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid has a molecular weight of 335.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid is sourced from PubChem (CID 71915606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).