N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H19NO3S — CID 4110795

IUPACN-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-13-3-7-15(8-4-13)19-17(20)18(11-12-18)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNNJGMVKEYJFXRO-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.25
Rot. Bonds4

About N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 4110795) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID4110795
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H19NO3S/c1-13-3-7-15(8-4-13)19-17(20)18(11-12-18)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNNJGMVKEYJFXRO-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 4110795) is N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is NNJGMVKEYJFXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-3-7-15(8-4-13)19-17(20)18(11-12-18)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 4110795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).