N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide

C18H19N5O3S — CID 59177267

IUPACN-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide
SMILES[C-]#[N+]c1ccc(S(=O)(=O)N[C@H](C)c2nc3cnc(OC)cc3n2CC)cc1
InChIInChI=1S/C18H19N5O3S/c1-5-23-16-10-17(26-4)20-11-15(16)21-18(23)12(2)22-27(24,25)14-8-6-13(19-3)7-9-14/h6-12,22H,5H2,1-2,4H3/t12-/m1/s1
InChIKeyHRORKJVPOSOFCE-GFCCVEGCSA-N
MW385.45 g/mol
LogP3.05
Rot. Bonds6

About N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide

N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide (PubChem CID 59177267) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide
PubChem CID59177267
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide
SMILES[C-]#[N+]c1ccc(S(=O)(=O)N[C@H](C)c2nc3cnc(OC)cc3n2CC)cc1
InChIInChI=1S/C18H19N5O3S/c1-5-23-16-10-17(26-4)20-11-15(16)21-18(23)12(2)22-27(24,25)14-8-6-13(19-3)7-9-14/h6-12,22H,5H2,1-2,4H3/t12-/m1/s1
InChIKeyHRORKJVPOSOFCE-GFCCVEGCSA-N
XLogP3.05
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide 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

4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 89272257
4-cyano-N-[1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 68646635
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 72535614
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide
CID 24985567
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68810030
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
CID 24985571
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide (CID 59177267) is N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide is [C-]#[N+]c1ccc(S(=O)(=O)N[C@H](C)c2nc3cnc(OC)cc3n2CC)cc1.
What is the InChIKey of N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide?
The InChIKey is HRORKJVPOSOFCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-5-23-16-10-17(26-4)20-11-15(16)21-18(23)12(2)22-27(24,25)14-8-6-13(19-3)7-9-14/h6-12,22H,5H2,1-2,4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide?
N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide is sourced from PubChem (CID 59177267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).