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

C15H21NO3S — CID 3434565

IUPACN-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-11-5-7-12(8-6-11)20(18,19)15(9-10-15)13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyBGXWYCDHJGVVPX-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.22
Rot. Bonds3

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

N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 3434565) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID3434565
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-11-5-7-12(8-6-11)20(18,19)15(9-10-15)13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyBGXWYCDHJGVVPX-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 3434565) is N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is BGXWYCDHJGVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-5-7-12(8-6-11)20(18,19)15(9-10-15)13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 3434565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).