[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate

C19H16N2O3S — CID 69101275

IUPAC[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C19H16N2O3S/c1-12(22)24-16-5-2-13(3-6-16)19(23)21-18-10-14(4-7-17(18)20)15-8-9-25-11-15/h2-11H,20H2,1H3,(H,21,23)
InChIKeyONPCLAZNHMQGSY-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.17
Rot. Bonds4

About [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate

[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate (PubChem CID 69101275) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
PubChem CID69101275
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C19H16N2O3S/c1-12(22)24-16-5-2-13(3-6-16)19(23)21-18-10-14(4-7-17(18)20)15-8-9-25-11-15/h2-11H,20H2,1H3,(H,21,23)
InChIKeyONPCLAZNHMQGSY-UHFFFAOYSA-N
XLogP4.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947107
2-(dimethylamino)ethyl N-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]carbamate
CID 69101191
4-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]butanoic acid
CID 158119892
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
N-[2-amino-5-(3-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736690
N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 24753767
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-oxo-1-(propylamino)propan-2-yl]carbamic acid
CID 67497874
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-benzylcarbamic acid
CID 24753578
N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
CID 143614084

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate (CID 69101275) is [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1.
What is the InChIKey of [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate?
The InChIKey is ONPCLAZNHMQGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12(22)24-16-5-2-13(3-6-16)19(23)21-18-10-14(4-7-17(18)20)15-8-9-25-11-15/h2-11H,20H2,1H3,(H,21,23).
What are the key properties of [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate?
[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate has a molecular weight of 352.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 69101275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).