2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

C20H28N2O4S — CID 5298782

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C
InChIInChI=1S/C20H28N2O4S/c1-14(2)13-17-18(20(17,3)4)19(23)21-15-5-7-16(8-6-15)27(24,25)22-9-11-26-12-10-22/h5-8,13,17-18H,9-12H2,1-4H3,(H,21,23)
InChIKeyLTAQTXWISYBHFG-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.88
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 5298782) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID5298782
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C
InChIInChI=1S/C20H28N2O4S/c1-14(2)13-17-18(20(17,3)4)19(23)21-15-5-7-16(8-6-15)27(24,25)22-9-11-26-12-10-22/h5-8,13,17-18H,9-12H2,1-4H3,(H,21,23)
InChIKeyLTAQTXWISYBHFG-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
(2s)-2-Tert-Butyl-N-(4-Sulfamoylphenyl)pentanamide
CID 53308637
N-(4-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
CID 833152
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
Ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyramide
CID 46236927

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 5298782) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LTAQTXWISYBHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-14(2)13-17-18(20(17,3)4)19(23)21-15-5-7-16(8-6-15)27(24,25)22-9-11-26-12-10-22/h5-8,13,17-18H,9-12H2,1-4H3,(H,21,23).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 5298782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).