N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide

C17H26N2O4S — CID 31541629

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
SMILESCCOc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C17H26N2O4S/c1-6-19(7-2)24(21,22)16-12-14(9-10-15(16)23-8-3)18-17(20)11-13(4)5/h9-12H,6-8H2,1-5H3,(H,18,20)
InChIKeyMARXKSZMYDLORG-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.02
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide (PubChem CID 31541629) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
PubChem CID31541629
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
SMILESCCOc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C17H26N2O4S/c1-6-19(7-2)24(21,22)16-12-14(9-10-15(16)23-8-3)18-17(20)11-13(4)5/h9-12H,6-8H2,1-5H3,(H,18,20)
InChIKeyMARXKSZMYDLORG-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.02
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-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 26756004
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
1-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-(2-methylprop-2-enyl)thiourea
CID 8656487
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
ethyl 4-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 17492838
ethyl 5-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42025091

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide (CID 31541629) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide is CCOc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide?
The InChIKey is MARXKSZMYDLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-6-19(7-2)24(21,22)16-12-14(9-10-15(16)23-8-3)18-17(20)11-13(4)5/h9-12H,6-8H2,1-5H3,(H,18,20).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide has a molecular weight of 354.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 31541629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).