methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate

C20H17NO4S — CID 2329324

IUPACmethyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4S/c1-24-15-10-8-14(9-11-15)19(22)21-16-12-17(13-6-4-3-5-7-13)26-18(16)20(23)25-2/h3-12H,1-2H3,(H,21,22)
InChIKeyDGKPNUFAQHESRY-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.46
Rot. Bonds5

About methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate

methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate (PubChem CID 2329324) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate
PubChem CID2329324
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Namemethyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4S/c1-24-15-10-8-14(9-11-15)19(22)21-16-12-17(13-6-4-3-5-7-13)26-18(16)20(23)25-2/h3-12H,1-2H3,(H,21,22)
InChIKeyDGKPNUFAQHESRY-UHFFFAOYSA-N
XLogP4.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate (CID 2329324) is methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is DGKPNUFAQHESRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-15-10-8-14(9-11-15)19(22)21-16-12-17(13-6-4-3-5-7-13)26-18(16)20(23)25-2/h3-12H,1-2H3,(H,21,22).
What are the key properties of methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxybenzoyl)amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 2329324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).