[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate

C23H22N2O5S — CID 41171136

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C23H22N2O5S/c1-15(26)24-19(21-8-5-13-31-21)14-22(27)30-17-11-9-16(10-12-17)25-23(28)18-6-3-4-7-20(18)29-2/h3-13,19H,14H2,1-2H3,(H,24,26)(H,25,28)/t19-/m1/s1
InChIKeyDRKFWFBEEGQDGC-LJQANCHMSA-N
MW438.51 g/mol
LogP4.18
Rot. Bonds8

About [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate

[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate (PubChem CID 41171136) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
PubChem CID41171136
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C23H22N2O5S/c1-15(26)24-19(21-8-5-13-31-21)14-22(27)30-17-11-9-16(10-12-17)25-23(28)18-6-3-4-7-20(18)29-2/h3-13,19H,14H2,1-2H3,(H,24,26)(H,25,28)/t19-/m1/s1
InChIKeyDRKFWFBEEGQDGC-LJQANCHMSA-N
XLogP4.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate 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

propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
CID 112723428
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46694823
3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate
CID 55413954
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
CID 46593487
3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 47017517

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate (CID 41171136) is [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate is COc1ccccc1C(=O)Nc1ccc(OC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate?
The InChIKey is DRKFWFBEEGQDGC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15(26)24-19(21-8-5-13-31-21)14-22(27)30-17-11-9-16(10-12-17)25-23(28)18-6-3-4-7-20(18)29-2/h3-13,19H,14H2,1-2H3,(H,24,26)(H,25,28)/t19-/m1/s1.
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate?
[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate has a molecular weight of 438.51 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 41171136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).