1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

C18H19NO3S2 — CID 6621576

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C18H19NO3S2/c1-13-6-8-16(9-7-13)24(21,22)18(10-11-18)17(20)19-14-4-3-5-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyIOGSCISBZSZRPH-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 6621576) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID6621576
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C18H19NO3S2/c1-13-6-8-16(9-7-13)24(21,22)18(10-11-18)17(20)19-14-4-3-5-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyIOGSCISBZSZRPH-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (CID 6621576) is 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is CSc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is IOGSCISBZSZRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c1-13-6-8-16(9-7-13)24(21,22)18(10-11-18)17(20)19-14-4-3-5-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 6621576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).