(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide

C15H15ClN2O4S — CID 60501669

IUPAC(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10-15(11(2)22-17-10)23(20,21)18(3)14(19)9-6-12-4-7-13(16)8-5-12/h4-9H,1-3H3/b9-6+
InChIKeyIPCNMNKQKLMVAS-RMKNXTFCSA-N
MW354.82 g/mol
LogP2.81
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide (PubChem CID 60501669) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide
PubChem CID60501669
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10-15(11(2)22-17-10)23(20,21)18(3)14(19)9-6-12-4-7-13(16)8-5-12/h4-9H,1-3H3/b9-6+
InChIKeyIPCNMNKQKLMVAS-RMKNXTFCSA-N
XLogP2.81
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide (CID 60501669) is (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide is Cc1noc(C)c1S(=O)(=O)N(C)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide?
The InChIKey is IPCNMNKQKLMVAS-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-10-15(11(2)22-17-10)23(20,21)18(3)14(19)9-6-12-4-7-13(16)8-5-12/h4-9H,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide has a molecular weight of 354.82 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide is sourced from PubChem (CID 60501669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).