2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C14H20N2O3S — CID 6468606

IUPAC2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-9(2)16-20(18,19)12-6-4-11(5-7-12)15-14(17)13-8-10(13)3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyGPGBRQVFFZMNKI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 6468606) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID6468606
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-9(2)16-20(18,19)12-6-4-11(5-7-12)15-14(17)13-8-10(13)3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyGPGBRQVFFZMNKI-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 6468606) is 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is GPGBRQVFFZMNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)16-20(18,19)12-6-4-11(5-7-12)15-14(17)13-8-10(13)3/h4-7,9-10,13,16H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 6468606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).