methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate

C20H18N2O3S — CID 45104966

IUPACmethyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-12-26-19(18(13)20(24)25-2)22-17(23)11-14-3-5-15(6-4-14)16-7-9-21-10-8-16/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyMZFRCQRBHBNGFV-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.09
Rot. Bonds5

About methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate

methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 45104966) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID45104966
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Namemethyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-12-26-19(18(13)20(24)25-2)22-17(23)11-14-3-5-15(6-4-14)16-7-9-21-10-8-16/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyMZFRCQRBHBNGFV-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 880938
CID 880938
CID 1672531
CID 1672531
CID 897624
CID 897624
CID 69442708
CID 69442708
CID 874726
CID 874726
CID 661910
CID 661910
CID 896008
CID 896008
CID 990430
CID 990430
CID 1206996
CID 1206996
CID 1245092
CID 1245092
CID 1277419
CID 1277419
CID 1293939
CID 1293939

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate (CID 45104966) is methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1.
What is the InChIKey of methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is MZFRCQRBHBNGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-12-26-19(18(13)20(24)25-2)22-17(23)11-14-3-5-15(6-4-14)16-7-9-21-10-8-16/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate?
methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 45104966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).