(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide

C20H23N3O6S — CID 6043889

IUPAC(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H23N3O6S/c1-4-22(5-2)30(27,28)17-11-12-19(29-3)18(14-17)21-20(24)13-8-15-6-9-16(10-7-15)23(25)26/h6-14H,4-5H2,1-3H3,(H,21,24)/b13-8+
InChIKeyRVUMNMMWTZOIRW-MDWZMJQESA-N
MW433.49 g/mol
LogP3.29
Rot. Bonds9

About (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 6043889) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID6043889
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H23N3O6S/c1-4-22(5-2)30(27,28)17-11-12-19(29-3)18(14-17)21-20(24)13-8-15-6-9-16(10-7-15)23(25)26/h6-14H,4-5H2,1-3H3,(H,21,24)/b13-8+
InChIKeyRVUMNMMWTZOIRW-MDWZMJQESA-N
XLogP3.29
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19185169
3-(4-tert-butylphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1291349
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
methyl 4-[(E)-3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxoprop-1-enyl]benzoate
CID 8838661
N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
CID 4878100
N,N-diethyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzenesulfonamide
CID 6372239
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191358
(E)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6276091

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide (CID 6043889) is (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is RVUMNMMWTZOIRW-MDWZMJQESA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-4-22(5-2)30(27,28)17-11-12-19(29-3)18(14-17)21-20(24)13-8-15-6-9-16(10-7-15)23(25)26/h6-14H,4-5H2,1-3H3,(H,21,24)/b13-8+.
What are the key properties of (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 433.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6043889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).