N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide

C18H18N2O4S — CID 86953857

IUPACN-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C18H18N2O4S/c1-12(2)24-16-7-5-4-6-15(16)18(21)20-25(22,23)17-10-14(11-19)9-8-13(17)3/h4-10,12H,1-3H3,(H,20,21)
InChIKeyTVUIUXSTROFFIO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.77
Rot. Bonds5

About N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide

N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide (PubChem CID 86953857) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide
PubChem CID86953857
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C18H18N2O4S/c1-12(2)24-16-7-5-4-6-15(16)18(21)20-25(22,23)17-10-14(11-19)9-8-13(17)3/h4-10,12H,1-3H3,(H,20,21)
InChIKeyTVUIUXSTROFFIO-UHFFFAOYSA-N
XLogP2.77
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide
CID 167805580
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 115753827
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
(2R)-2-[(5-cyano-2-methylphenyl)sulfonylamino]pentanoic acid
CID 104935465
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
4-acetamido-N-(5-cyano-2-methylphenyl)sulfonylbutanamide
CID 99808339
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
(2S)-4-[(5-cyano-2-methylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934150

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide (CID 86953857) is N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide is Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1OC(C)C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide?
The InChIKey is TVUIUXSTROFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12(2)24-16-7-5-4-6-15(16)18(21)20-25(22,23)17-10-14(11-19)9-8-13(17)3/h4-10,12H,1-3H3,(H,20,21).
What are the key properties of N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide?
N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide has a molecular weight of 358.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide is sourced from PubChem (CID 86953857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).