(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C19H25N3O3S2 — CID 16582954

IUPAC(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)/C=C/c2csc(C)n2)c1
InChIInChI=1S/C19H25N3O3S2/c1-6-22(7-2)27(24,25)17-10-13(3)14(4)18(11-17)21-19(23)9-8-16-12-26-15(5)20-16/h8-12H,6-7H2,1-5H3,(H,21,23)/b9-8+
InChIKeyMQTTTZGKUFSOIS-CMDGGOBGSA-N
MW407.56 g/mol
LogP3.75
Rot. Bonds7

About (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 16582954) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID16582954
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)/C=C/c2csc(C)n2)c1
InChIInChI=1S/C19H25N3O3S2/c1-6-22(7-2)27(24,25)17-10-13(3)14(4)18(11-17)21-19(23)9-8-16-12-26-15(5)20-16/h8-12H,6-7H2,1-5H3,(H,21,23)/b9-8+
InChIKeyMQTTTZGKUFSOIS-CMDGGOBGSA-N
XLogP3.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591668
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27832679
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55711496
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 16564298
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide
CID 76885915
5-chloro-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43358258
ethyl 4,5-dimethyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate
CID 16582911
N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103597971
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 16582954) is (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)/C=C/c2csc(C)n2)c1.
What is the InChIKey of (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is MQTTTZGKUFSOIS-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-6-22(7-2)27(24,25)17-10-13(3)14(4)18(11-17)21-19(23)9-8-16-12-26-15(5)20-16/h8-12H,6-7H2,1-5H3,(H,21,23)/b9-8+.
What are the key properties of (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 407.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 16582954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).