2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid

C14H14N2O4S — CID 115284233

IUPAC2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccccc1NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O4S/c1-20-10-6-3-2-5-9(10)15-14(19)16-12(13(17)18)11-7-4-8-21-11/h2-8,12H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNGSIOURQCABDKN-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.70
Rot. Bonds5

About 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid

2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115284233) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID115284233
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccccc1NC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O4S/c1-20-10-6-3-2-5-9(10)15-14(19)16-12(13(17)18)11-7-4-8-21-11/h2-8,12H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNGSIOURQCABDKN-UHFFFAOYSA-N
XLogP2.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 55697257
4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 115284233) is 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid is COc1ccccc1NC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is NGSIOURQCABDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-10-6-3-2-5-9(10)15-14(19)16-12(13(17)18)11-7-4-8-21-11/h2-8,12H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).