2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate

C16H16N2O4S — CID 9441875

IUPAC2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(=O)NCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-8-9-22-16(21)12-4-6-13(7-5-12)18-15(20)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHRGQSOOPGWALDE-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.29
Rot. Bonds6

About 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate

2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 9441875) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
PubChem CID9441875
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(=O)NCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-11(19)17-8-9-22-16(21)12-4-6-13(7-5-12)18-15(20)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHRGQSOOPGWALDE-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate 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

2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
CID 4164579
prop-2-ynyl 4-(thiophene-2-carbonylamino)benzoate
CID 47110953
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 18202688
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27682888
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate (CID 9441875) is 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate is CC(=O)NCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is HRGQSOOPGWALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11(19)17-8-9-22-16(21)12-4-6-13(7-5-12)18-15(20)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate?
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 332.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 9441875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).