2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid

C17H14N2O4S — CID 10427468

IUPAC2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid
SMILESNc1ccccc1NC(=O)c1cc2cc(OCC(=O)O)ccc2s1
InChIInChI=1S/C17H14N2O4S/c18-12-3-1-2-4-13(12)19-17(22)15-8-10-7-11(23-9-16(20)21)5-6-14(10)24-15/h1-8H,9,18H2,(H,19,22)(H,20,21)
InChIKeyUGSCOYCPCIFJNF-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.20
Rot. Bonds5

About 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid

2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid (PubChem CID 10427468) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid
PubChem CID10427468
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid
SMILESNc1ccccc1NC(=O)c1cc2cc(OCC(=O)O)ccc2s1
InChIInChI=1S/C17H14N2O4S/c18-12-3-1-2-4-13(12)19-17(22)15-8-10-7-11(23-9-16(20)21)5-6-14(10)24-15/h1-8H,9,18H2,(H,19,22)(H,20,21)
InChIKeyUGSCOYCPCIFJNF-UHFFFAOYSA-N
XLogP3.20
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 68697079
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-(2-aminophenyl)-5-[(pyridin-2-ylmethylamino)methyl]-1-benzothiophene-2-carboxamide
CID 68700472
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
5-amino-N-(2-carbamoylphenyl)-1-benzothiophene-2-carboxamide
CID 139568442
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610
N-(2-aminophenyl)-6-[1-benzamido-2-(4-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 11960262
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 142723952

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid (CID 10427468) is 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid is Nc1ccccc1NC(=O)c1cc2cc(OCC(=O)O)ccc2s1.
What is the InChIKey of 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid?
The InChIKey is UGSCOYCPCIFJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c18-12-3-1-2-4-13(12)19-17(22)15-8-10-7-11(23-9-16(20)21)5-6-14(10)24-15/h1-8H,9,18H2,(H,19,22)(H,20,21).
What are the key properties of 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid?
2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid has a molecular weight of 342.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-5-yl]oxy]acetic acid is sourced from PubChem (CID 10427468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).