N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C26H29N3O5S — CID 98377819

IUPACN-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C26H29N3O5S/c1-16(23-15-17-6-7-18(23)14-17)28-35(33,34)20-10-8-19(9-11-20)27-24(30)12-13-29-25(31)21-4-2-3-5-22(21)26(29)32/h2-5,8-11,16-18,23,28H,6-7,12-15H2,1H3,(H,27,30)/t16-,17+,18+,23-/m0/s1
InChIKeyGVAYUJORXKZPMY-JFNLIGNMSA-N
MW495.60 g/mol
LogP3.41
Rot. Bonds8

About N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 98377819) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID98377819
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C26H29N3O5S/c1-16(23-15-17-6-7-18(23)14-17)28-35(33,34)20-10-8-19(9-11-20)27-24(30)12-13-29-25(31)21-4-2-3-5-22(21)26(29)32/h2-5,8-11,16-18,23,28H,6-7,12-15H2,1H3,(H,27,30)/t16-,17+,18+,23-/m0/s1
InChIKeyGVAYUJORXKZPMY-JFNLIGNMSA-N
XLogP3.41
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide 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-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 46512407
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-methylbenzamide
CID 129376384
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 129376398
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-(cyanomethylsulfanyl)acetamide
CID 43071742
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 98512474
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3,5-dimethylbenzamide
CID 98402946
cis-(1S,2R)-N-[4-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 124838412
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 98377819) is N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is C[C@H](NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GVAYUJORXKZPMY-JFNLIGNMSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-16(23-15-17-6-7-18(23)14-17)28-35(33,34)20-10-8-19(9-11-20)27-24(30)12-13-29-25(31)21-4-2-3-5-22(21)26(29)32/h2-5,8-11,16-18,23,28H,6-7,12-15H2,1H3,(H,27,30)/t16-,17+,18+,23-/m0/s1.
What are the key properties of N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 495.60 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 98377819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).