2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

C18H24N2O5S — CID 124832401

IUPAC2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H24N2O5S/c1-2-26(22,23)20(14-5-6-16-17(9-14)25-11-24-16)10-18(21)19-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-,13-,15+/m0/s1
InChIKeyFAMSDBVGBGKEAI-KCQAQPDRSA-N
MW380.47 g/mol
LogP1.88
Rot. Bonds6

About 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 124832401) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID124832401
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H24N2O5S/c1-2-26(22,23)20(14-5-6-16-17(9-14)25-11-24-16)10-18(21)19-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-,13-,15+/m0/s1
InChIKeyFAMSDBVGBGKEAI-KCQAQPDRSA-N
XLogP1.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-cyclohexylacetamide
CID 21367958
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 23229792
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 21366898
3-(1,3-benzodioxol-5-yl)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 95196204
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 124834503
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 154808462
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 124833793
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 98123181
N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53289335
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 21173515
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 7031515
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 6974295

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 124832401) is 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is CCS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is FAMSDBVGBGKEAI-KCQAQPDRSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-26(22,23)20(14-5-6-16-17(9-14)25-11-24-16)10-18(21)19-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-,13-,15+/m0/s1.
What are the key properties of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 124832401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).