[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate

C19H15NO4S — CID 1092077

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C19H15NO4S/c1-23-15-10-6-14(7-11-15)20-18(21)13-4-8-16(9-5-13)24-19(22)17-3-2-12-25-17/h2-12H,1H3,(H,20,21)
InChIKeyTZZIAKJSAPYLKV-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.23
Rot. Bonds5

About [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate

[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate (PubChem CID 1092077) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
PubChem CID1092077
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C19H15NO4S/c1-23-15-10-6-14(7-11-15)20-18(21)13-4-8-16(9-5-13)24-19(22)17-3-2-12-25-17/h2-12H,1H3,(H,20,21)
InChIKeyTZZIAKJSAPYLKV-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate 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

[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
[4-[[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5191656
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
[4-[(E)-N-[[2-(4-acetamidoanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] thiophene-2-carboxylate
CID 19658750

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate (CID 1092077) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate is COc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The InChIKey is TZZIAKJSAPYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-23-15-10-6-14(7-11-15)20-18(21)13-4-8-16(9-5-13)24-19(22)17-3-2-12-25-17/h2-12H,1H3,(H,20,21).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 1092077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).