N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide

C18H26N2O3S — CID 3408418

IUPACN-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)
InChIKeyPKWAJXSJROKJPR-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide

N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide (PubChem CID 3408418) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide
PubChem CID3408418
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)
InChIKeyPKWAJXSJROKJPR-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide (CID 3408418) is N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2C3(C)CCC(C3)C2(C)C)cc1.
What is the InChIKey of N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PKWAJXSJROKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide?
N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide has a molecular weight of 350.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3408418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).