N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide

C24H30N2O4S — CID 98390321

IUPACN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C24H30N2O4S/c1-3-30-19-10-12-20(13-11-19)31(28,29)26-23-7-5-4-6-21(23)24(27)25-16(2)22-15-17-8-9-18(22)14-17/h4-7,10-13,16-18,22,26H,3,8-9,14-15H2,1-2H3,(H,25,27)/t16-,17-,18-,22+/m1/s1
InChIKeyUKMMLMJWQVAJKD-IDVKNYFZSA-N
MW442.58 g/mol
LogP4.44
Rot. Bonds8

About N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide (PubChem CID 98390321) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
PubChem CID98390321
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C24H30N2O4S/c1-3-30-19-10-12-20(13-11-19)31(28,29)26-23-7-5-4-6-21(23)24(27)25-16(2)22-15-17-8-9-18(22)14-17/h4-7,10-13,16-18,22,26H,3,8-9,14-15H2,1-2H3,(H,25,27)/t16-,17-,18-,22+/m1/s1
InChIKeyUKMMLMJWQVAJKD-IDVKNYFZSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 129377514
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide
CID 108514526
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 51163159
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 7349405
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 11899053
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide (CID 98390321) is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is UKMMLMJWQVAJKD-IDVKNYFZSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-3-30-19-10-12-20(13-11-19)31(28,29)26-23-7-5-4-6-21(23)24(27)25-16(2)22-15-17-8-9-18(22)14-17/h4-7,10-13,16-18,22,26H,3,8-9,14-15H2,1-2H3,(H,25,27)/t16-,17-,18-,22+/m1/s1.
What are the key properties of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 442.58 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 98390321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).