2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C18H26N2O3S — CID 134039474

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O3S/c1-13-2-6-17(7-3-13)24(22,23)20-9-8-19-18(21)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16,20H,4-5,8-12H2,1H3,(H,19,21)
InChIKeyHKOGNTZFAHBAQW-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.22
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 134039474) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID134039474
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H26N2O3S/c1-13-2-6-17(7-3-13)24(22,23)20-9-8-19-18(21)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16,20H,4-5,8-12H2,1H3,(H,19,21)
InChIKeyHKOGNTZFAHBAQW-UHFFFAOYSA-N
XLogP2.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 78863206
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 21175592
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 75680041

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 134039474) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is HKOGNTZFAHBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13-2-6-17(7-3-13)24(22,23)20-9-8-19-18(21)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16,20H,4-5,8-12H2,1H3,(H,19,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 350.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 134039474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).