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

C21H26N2O4S — CID 7688971

IUPAC(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-5-23(6-2)28(25,26)19-12-10-16(3)20(15-19)22-21(24)13-11-17-8-7-9-18(14-17)27-4/h7-15H,5-6H2,1-4H3,(H,22,24)/b13-11+
InChIKeyGQGAZGRVGPLRPN-ACCUITESSA-N
MW402.52 g/mol
LogP3.69
Rot. Bonds8

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

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 7688971) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID7688971
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-5-23(6-2)28(25,26)19-12-10-16(3)20(15-19)22-21(24)13-11-17-8-7-9-18(14-17)27-4/h7-15H,5-6H2,1-4H3,(H,22,24)/b13-11+
InChIKeyGQGAZGRVGPLRPN-ACCUITESSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
(E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 6219257
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591739
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
CID 7689072
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 26774017
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6043889
(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide
CID 78869823
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
(E)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 78848236

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 7688971) is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccc(OC)c2)c1.
What is the InChIKey of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is GQGAZGRVGPLRPN-ACCUITESSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-23(6-2)28(25,26)19-12-10-16(3)20(15-19)22-21(24)13-11-17-8-7-9-18(14-17)27-4/h7-15H,5-6H2,1-4H3,(H,22,24)/b13-11+.
What are the key properties of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 402.52 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).