1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C20H23NO3S — CID 15989018

IUPAC1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-14(2)16-6-8-17(9-7-16)21-19(22)20(12-13-20)25(23,24)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeySGPASLAKNYIEDF-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 15989018) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID15989018
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-14(2)16-6-8-17(9-7-16)21-19(22)20(12-13-20)25(23,24)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeySGPASLAKNYIEDF-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 15989018) is 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SGPASLAKNYIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14(2)16-6-8-17(9-7-16)21-19(22)20(12-13-20)25(23,24)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 15989018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).