(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

C20H24N2O3S2 — CID 7759967

IUPAC(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(SC)cc2)c1
InChIInChI=1S/C20H24N2O3S2/c1-4-22(5-2)27(24,25)19-8-6-7-17(15-19)21-20(23)14-11-16-9-12-18(26-3)13-10-16/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+
InChIKeyJXZGADBKIWDTMQ-SDNWHVSQSA-N
MW404.56 g/mol
LogP4.09
Rot. Bonds8

About (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide (PubChem CID 7759967) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
PubChem CID7759967
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(SC)cc2)c1
InChIInChI=1S/C20H24N2O3S2/c1-4-22(5-2)27(24,25)19-8-6-7-17(15-19)21-20(23)14-11-16-9-12-18(26-3)13-10-16/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+
InChIKeyJXZGADBKIWDTMQ-SDNWHVSQSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.09
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

N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 6213913
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-(4-methylsulfanylphenyl)-N-phenylprop-2-enamide
CID 4879248
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8961604
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 16577485

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide (CID 7759967) is (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(SC)cc2)c1.
What is the InChIKey of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is JXZGADBKIWDTMQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-4-22(5-2)27(24,25)19-8-6-7-17(15-19)21-20(23)14-11-16-9-12-18(26-3)13-10-16/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+.
What are the key properties of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 404.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 7759967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).