N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide

C17H20N2O4S — CID 86815081

IUPACN-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)co1
InChIInChI=1S/C17H20N2O4S/c1-2-16-19-15(11-23-16)17(20)18-12-6-5-9-14(10-12)24(21,22)13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyGTSDVYYXYWGTAI-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.21
Rot. Bonds5

About N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide

N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 86815081) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
PubChem CID86815081
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)co1
InChIInChI=1S/C17H20N2O4S/c1-2-16-19-15(11-23-16)17(20)18-12-6-5-9-14(10-12)24(21,22)13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyGTSDVYYXYWGTAI-UHFFFAOYSA-N
XLogP3.21
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide (CID 86815081) is N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)co1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is GTSDVYYXYWGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-16-19-15(11-23-16)17(20)18-12-6-5-9-14(10-12)24(21,22)13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86815081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).