N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

C20H20N2O2S2 — CID 10068612

IUPACN-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2sccc2SCc2ccncc2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-14(2)24-17-5-3-16(4-6-17)22-20(23)19-18(9-12-25-19)26-13-15-7-10-21-11-8-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyQNMOMSNIBHBJLI-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.47
Rot. Bonds7

About N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (PubChem CID 10068612) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
PubChem CID10068612
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2sccc2SCc2ccncc2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-14(2)24-17-5-3-16(4-6-17)22-20(23)19-18(9-12-25-19)26-13-15-7-10-21-11-8-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyQNMOMSNIBHBJLI-UHFFFAOYSA-N
XLogP5.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (CID 10068612) is N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2sccc2SCc2ccncc2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The InChIKey is QNMOMSNIBHBJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-14(2)24-17-5-3-16(4-6-17)22-20(23)19-18(9-12-25-19)26-13-15-7-10-21-11-8-15/h3-12,14H,13H2,1-2H3,(H,22,23).
What are the key properties of N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 10068612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).