N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide

C18H21NO2S — CID 7243578

IUPACN-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1C
InChIInChI=1S/C18H21NO2S/c1-13-5-6-15(12-14(13)2)19-17(20)18(7-9-21-10-8-18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyXTSGXPHQXBFAIK-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.05
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243578) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243578
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1C
InChIInChI=1S/C18H21NO2S/c1-13-5-6-15(12-14(13)2)19-17(20)18(7-9-21-10-8-18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyXTSGXPHQXBFAIK-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243578) is N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide is Cc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is XTSGXPHQXBFAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-5-6-15(12-14(13)2)19-17(20)18(7-9-21-10-8-18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).