N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C26H32N4O4S — CID 46512407

IUPACN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1)C1CC2CCC1C2
InChIInChI=1S/C26H32N4O4S/c1-17(22-16-18-7-8-19(22)15-18)28-35(33,34)21-11-9-20(10-12-21)27-25(31)13-14-30-24-6-4-3-5-23(24)29(2)26(30)32/h3-6,9-12,17-19,22,28H,7-8,13-16H2,1-2H3,(H,27,31)
InChIKeyNFRKNFMSWYYHJN-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.47
Rot. Bonds8

About N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 46512407) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID46512407
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1)C1CC2CCC1C2
InChIInChI=1S/C26H32N4O4S/c1-17(22-16-18-7-8-19(22)15-18)28-35(33,34)21-11-9-20(10-12-21)27-25(31)13-14-30-24-6-4-3-5-23(24)29(2)26(30)32/h3-6,9-12,17-19,22,28H,7-8,13-16H2,1-2H3,(H,27,31)
InChIKeyNFRKNFMSWYYHJN-UHFFFAOYSA-N
XLogP3.47
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-methylbenzamide
CID 129376384
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-(cyanomethylsulfanyl)acetamide
CID 43071742
N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 98402973
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3,5-dimethylbenzamide
CID 98402946
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 129376398
3-acetamido-N-[4-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98444087
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-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 46512407) is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CC(NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is NFRKNFMSWYYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-17(22-16-18-7-8-19(22)15-18)28-35(33,34)21-11-9-20(10-12-21)27-25(31)13-14-30-24-6-4-3-5-23(24)29(2)26(30)32/h3-6,9-12,17-19,22,28H,7-8,13-16H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 496.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 46512407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).