2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide

C16H19ClN2O4S — CID 58198557

IUPAC2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide
SMILESCCc1c(C)noc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O4S/c1-5-13-10(2)19-23-14(13)18-15(20)16(3,4)24(21,22)12-8-6-11(17)7-9-12/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyGDRPFFZCHZFCQN-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide (PubChem CID 58198557) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide
PubChem CID58198557
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide
SMILESCCc1c(C)noc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O4S/c1-5-13-10(2)19-23-14(13)18-15(20)16(3,4)24(21,22)12-8-6-11(17)7-9-12/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyGDRPFFZCHZFCQN-UHFFFAOYSA-N
XLogP3.39
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide (CID 58198557) is 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide is CCc1c(C)noc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The InChIKey is GDRPFFZCHZFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-5-13-10(2)19-23-14(13)18-15(20)16(3,4)24(21,22)12-8-6-11(17)7-9-12/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide has a molecular weight of 370.86 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 58198557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).