(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

C22H28N2O4S — CID 38930479

IUPAC(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N2O4S/c1-7-28-20-10-9-19(14-21(20)29(26,27)24(5)6)23-22(25)11-8-18-13-16(3)15(2)12-17(18)4/h8-14H,7H2,1-6H3,(H,23,25)/b11-8+
InChIKeyJPRQQQDIMSJNIN-DHZHZOJOSA-N
MW416.54 g/mol
LogP3.91
Rot. Bonds7

About (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 38930479) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID38930479
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N2O4S/c1-7-28-20-10-9-19(14-21(20)29(26,27)24(5)6)23-22(25)11-8-18-13-16(3)15(2)12-17(18)4/h8-14H,7H2,1-6H3,(H,23,25)/b11-8+
InChIKeyJPRQQQDIMSJNIN-DHZHZOJOSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.91
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)-3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 9470081
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 26756004
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 38930479) is (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is JPRQQQDIMSJNIN-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-7-28-20-10-9-19(14-21(20)29(26,27)24(5)6)23-22(25)11-8-18-13-16(3)15(2)12-17(18)4/h8-14H,7H2,1-6H3,(H,23,25)/b11-8+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 416.54 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 38930479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).