N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide

C18H26N2O3S — CID 23308718

IUPACN-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-11-13-9-10-18(16,4)17(13,2)3/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16-,18-/m0/s1
InChIKeyLDFUHISGUDWVBY-OWQGQXMQSA-N
MW350.48 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide

N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide (PubChem CID 23308718) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
PubChem CID23308718
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-11-13-9-10-18(16,4)17(13,2)3/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16-,18-/m0/s1
InChIKeyLDFUHISGUDWVBY-OWQGQXMQSA-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

Analyze N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246
N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
CID 55353239
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
CID 63022469
1-(4-methylphenyl)-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 100845970
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540247
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098
2-nitro-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 99851529
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide (CID 23308718) is N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1.
What is the InChIKey of N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide?
The InChIKey is LDFUHISGUDWVBY-OWQGQXMQSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12(21)19-14-5-7-15(8-6-14)24(22,23)20-16-11-13-9-10-18(16,4)17(13,2)3/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16-,18-/m0/s1.
What are the key properties of N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(1R,2S,4S)-1,7,7-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-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 23308718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).