methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate

C24H18N2O4S — CID 90596768

IUPACmethyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C24H18N2O4S/c1-29-24(28)21-19(16-8-3-2-4-9-16)15-31-23(21)26-22(27)17-10-7-11-18(14-17)30-20-12-5-6-13-25-20/h2-15H,1H3,(H,26,27)
InChIKeyUZWYGZNQFAYQTF-UHFFFAOYSA-N
MW430.49 g/mol
LogP5.64
Rot. Bonds6

About methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate

methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 90596768) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID90596768
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Namemethyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C24H18N2O4S/c1-29-24(28)21-19(16-8-3-2-4-9-16)15-31-23(21)26-22(27)17-10-7-11-18(14-17)30-20-12-5-6-13-25-20/h2-15H,1H3,(H,26,27)
InChIKeyUZWYGZNQFAYQTF-UHFFFAOYSA-N
XLogP5.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 90596771
methyl 4-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 1223114
methyl 4-(4-chlorophenyl)-2-[(3-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 108801740
methyl 2-[(4-bromobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3280060
N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
methyl 2-[(2,6-dimethoxybenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3554816
methyl 4-(4-chlorophenyl)-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 2241845
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 4190885
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yloxybenzamide
CID 90596489
N-[4-(2-methoxyphenoxy)phenyl]-3-pyridin-2-yloxybenzamide
CID 90596755
methyl 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate
CID 844860
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate (CID 90596768) is methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is UZWYGZNQFAYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-29-24(28)21-19(16-8-3-2-4-9-16)15-31-23(21)26-22(27)17-10-7-11-18(14-17)30-20-12-5-6-13-25-20/h2-15H,1H3,(H,26,27).
What are the key properties of methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate?
methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 430.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 90596768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).