N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C20H30N2O4S — CID 18149059

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2C(C=C(C)C)C2(C)C)c1
InChIInChI=1S/C20H30N2O4S/c1-7-22(8-2)27(25,26)14-9-10-17(23)16(12-14)21-19(24)18-15(11-13(3)4)20(18,5)6/h9-12,15,18,23H,7-8H2,1-6H3,(H,21,24)
InChIKeyIKYGBRMPQZIIRN-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.60
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 18149059) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID18149059
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2C(C=C(C)C)C2(C)C)c1
InChIInChI=1S/C20H30N2O4S/c1-7-22(8-2)27(25,26)14-9-10-17(23)16(12-14)21-19(24)18-15(11-13(3)4)20(18,5)6/h9-12,15,18,23H,7-8H2,1-6H3,(H,21,24)
InChIKeyIKYGBRMPQZIIRN-UHFFFAOYSA-N
XLogP3.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
(2S,4S)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631843
N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581387
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 31317091
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
CID 17393633

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 18149059) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2C(C=C(C)C)C2(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is IKYGBRMPQZIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-7-22(8-2)27(25,26)14-9-10-17(23)16(12-14)21-19(24)18-15(11-13(3)4)20(18,5)6/h9-12,15,18,23H,7-8H2,1-6H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 18149059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).