methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate

C22H20N2O2S — CID 143138140

IUPACmethane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate
SMILESC.COC(=O)c1cc2cc(Nc3cccc(-c4ccccc4)c3)ncc2s1
InChIInChI=1S/C21H16N2O2S.CH4/c1-25-21(24)18-11-16-12-20(22-13-19(16)26-18)23-17-9-5-8-15(10-17)14-6-3-2-4-7-14;/h2-13H,1H3,(H,22,23);1H4
InChIKeyAEXWLBQOLSLQPI-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.13
Rot. Bonds4

About methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate

methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 143138140) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID143138140
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Namemethane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate
SMILESC.COC(=O)c1cc2cc(Nc3cccc(-c4ccccc4)c3)ncc2s1
InChIInChI=1S/C21H16N2O2S.CH4/c1-25-21(24)18-11-16-12-20(22-13-19(16)26-18)23-17-9-5-8-15(10-17)14-6-3-2-4-7-14;/h2-13H,1H3,(H,22,23);1H4
InChIKeyAEXWLBQOLSLQPI-UHFFFAOYSA-N
XLogP6.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-phenyl-1-benzothiophene-2-carboxylate
CID 19007392
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 151400269
methyl 5-[(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 92648749
methyl 6-(6-methyl-3-pyridinyl)-1-benzothiophene-2-carboxylate
CID 118424914
methyl 3-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]benzoate
CID 112879265
methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344
8-tert-butyl-N-phenylisoquinolin-3-amine
CID 122693229
methyl 3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112879396
methyl 4-anilino-5-methylthiophene-2-carboxylate
CID 18537139
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
CID 47053095
N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide
CID 142723863
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730

Frequently Asked Questions

What is the IUPAC name of methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate (CID 143138140) is methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate is C.COC(=O)c1cc2cc(Nc3cccc(-c4ccccc4)c3)ncc2s1.
What is the InChIKey of methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is AEXWLBQOLSLQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.CH4/c1-25-21(24)18-11-16-12-20(22-13-19(16)26-18)23-17-9-5-8-15(10-17)14-6-3-2-4-7-14;/h2-13H,1H3,(H,22,23);1H4.
What are the key properties of methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate?
methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 5-(3-phenylanilino)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 143138140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).