N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide

C21H19NO3S — CID 2951458

IUPACN-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)C(C)Oc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-14-5-7-16(8-6-14)20(23)15(2)25-18-11-9-17(10-12-18)22-21(24)19-4-3-13-26-19/h3-13,15H,1-2H3,(H,22,24)
InChIKeyIQOZRRCOTDWBEH-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.96
Rot. Bonds6

About N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide

N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 2951458) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID2951458
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)C(C)Oc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-14-5-7-16(8-6-14)20(23)15(2)25-18-11-9-17(10-12-18)22-21(24)19-4-3-13-26-19/h3-13,15H,1-2H3,(H,22,24)
InChIKeyIQOZRRCOTDWBEH-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide (CID 2951458) is N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)C(C)Oc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is IQOZRRCOTDWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-14-5-7-16(8-6-14)20(23)15(2)25-18-11-9-17(10-12-18)22-21(24)19-4-3-13-26-19/h3-13,15H,1-2H3,(H,22,24).
What are the key properties of N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide?
N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2951458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).