4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol

C27H31N3O3S — CID 145027446

IUPAC4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
SMILESCN1CCC(Oc2ccc(O)cc2)CC1.Cc1ccccc1NC(=O)c1cc2sccc2n1C
InChIInChI=1S/C15H14N2OS.C12H17NO2/c1-10-5-3-4-6-11(10)16-15(18)13-9-14-12(17(13)2)7-8-19-14;1-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h3-9H,1-2H3,(H,16,18);2-5,12,14H,6-9H2,1H3
InChIKeyXNGXGDVRTBBMCZ-UHFFFAOYSA-N
MW477.63 g/mol
LogP5.67
Rot. Bonds4

About 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol

4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol (PubChem CID 145027446) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
PubChem CID145027446
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
SMILESCN1CCC(Oc2ccc(O)cc2)CC1.Cc1ccccc1NC(=O)c1cc2sccc2n1C
InChIInChI=1S/C15H14N2OS.C12H17NO2/c1-10-5-3-4-6-11(10)16-15(18)13-9-14-12(17(13)2)7-8-19-14;1-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h3-9H,1-2H3,(H,16,18);2-5,12,14H,6-9H2,1H3
InChIKeyXNGXGDVRTBBMCZ-UHFFFAOYSA-N
XLogP5.67
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol?
The IUPAC name of 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol (CID 145027446) is 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol is CN1CCC(Oc2ccc(O)cc2)CC1.Cc1ccccc1NC(=O)c1cc2sccc2n1C.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol?
The InChIKey is XNGXGDVRTBBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.C12H17NO2/c1-10-5-3-4-6-11(10)16-15(18)13-9-14-12(17(13)2)7-8-19-14;1-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h3-9H,1-2H3,(H,16,18);2-5,12,14H,6-9H2,1H3.
What are the key properties of 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol?
4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol has a molecular weight of 477.63 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol is sourced from PubChem (CID 145027446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).