3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide

C20H29N3O5S — CID 98212713

IUPAC3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1
InChIInChI=1S/C20H29N3O5S/c1-3-22(4-2)29(27,28)18-7-5-6-14(10-18)20(26)21-13-19(25)23-15-8-9-16(23)12-17(24)11-15/h5-7,10,15-17,24H,3-4,8-9,11-13H2,1-2H3,(H,21,26)/t15-,16-/m0/s1
InChIKeyHUJPSBXFAQBLJT-HOTGVXAUSA-N
MW423.54 g/mol
LogP0.96
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide

3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide (PubChem CID 98212713) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
PubChem CID98212713
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1
InChIInChI=1S/C20H29N3O5S/c1-3-22(4-2)29(27,28)18-7-5-6-14(10-18)20(26)21-13-19(25)23-15-8-9-16(23)12-17(24)11-15/h5-7,10,15-17,24H,3-4,8-9,11-13H2,1-2H3,(H,21,26)/t15-,16-/m0/s1
InChIKeyHUJPSBXFAQBLJT-HOTGVXAUSA-N
XLogP0.96
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide 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

N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 119414247
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
CID 96501882
N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 46592089
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119521498
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 52656968
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide (CID 98212713) is 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide?
The InChIKey is HUJPSBXFAQBLJT-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-3-22(4-2)29(27,28)18-7-5-6-14(10-18)20(26)21-13-19(25)23-15-8-9-16(23)12-17(24)11-15/h5-7,10,15-17,24H,3-4,8-9,11-13H2,1-2H3,(H,21,26)/t15-,16-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 98212713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).