methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

C16H17NO4S — CID 53325555

IUPACmethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H17NO4S/c1-10-9-22-15(14(10)16(19)21-3)17-13(18)8-11-4-6-12(20-2)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyZFGJERKBORCEBU-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 53325555) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID53325555
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H17NO4S/c1-10-9-22-15(14(10)16(19)21-3)17-13(18)8-11-4-6-12(20-2)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyZFGJERKBORCEBU-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
2-[(3-Methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 705171
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 742170
5-Ethyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid
CID 776614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (CID 53325555) is methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is ZFGJERKBORCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-10-9-22-15(14(10)16(19)21-3)17-13(18)8-11-4-6-12(20-2)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 53325555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).