ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate

C17H16N2O4S — CID 53322570

IUPACethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20)
InChIKeyJTVHPFGRRUKYMR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.99
Rot. Bonds6

About ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 53322570) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID53322570
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20)
InChIKeyJTVHPFGRRUKYMR-UHFFFAOYSA-N
XLogP2.99
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-(tert-Butyl)benzamido)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
CID 1724256
Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 727641
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
5-Ethyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid
CID 776614
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5710767
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate (CID 53322570) is ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JTVHPFGRRUKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 53322570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).