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

C21H19NO4S — CID 2788605

IUPACethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H19NO4S/c1-3-26-21(24)17-13-18(14-7-5-4-6-8-14)27-20(17)22-19(23)15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyWJXCQZORJATLNT-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.85
Rot. Bonds6

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

ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate (PubChem CID 2788605) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
PubChem CID2788605
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Nameethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H19NO4S/c1-3-26-21(24)17-13-18(14-7-5-4-6-8-14)27-20(17)22-19(23)15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyWJXCQZORJATLNT-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Flt-3 inhibitor
CID 1048845
2-(4-(tert-Butyl)benzamido)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
CID 1724256
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
ethyl 5-acetyl-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
CID 1181173
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
2-[(3-Methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 705171
5-Ethyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid
CID 776614

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate (CID 2788605) is ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate?
The InChIKey is WJXCQZORJATLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-3-26-21(24)17-13-18(14-7-5-4-6-8-14)27-20(17)22-19(23)15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate?
ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 2788605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).