N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide

C23H25N3O3S — CID 35618286

IUPACN-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C23H25N3O3S/c1-2-3-13-24-30(28,29)18-8-6-7-17(14-18)25-23(27)20-15-22(16-11-12-16)26-21-10-5-4-9-19(20)21/h4-10,14-16,24H,2-3,11-13H2,1H3,(H,25,27)
InChIKeySGLZHRZETAIYAT-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.44
Rot. Bonds8

About N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide

N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide (PubChem CID 35618286) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide
PubChem CID35618286
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C23H25N3O3S/c1-2-3-13-24-30(28,29)18-8-6-7-17(14-18)25-23(27)20-15-22(16-11-12-16)26-21-10-5-4-9-19(20)21/h4-10,14-16,24H,2-3,11-13H2,1H3,(H,25,27)
InChIKeySGLZHRZETAIYAT-UHFFFAOYSA-N
XLogP4.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide (CID 35618286) is N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is SGLZHRZETAIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-2-3-13-24-30(28,29)18-8-6-7-17(14-18)25-23(27)20-15-22(16-11-12-16)26-21-10-5-4-9-19(20)21/h4-10,14-16,24H,2-3,11-13H2,1H3,(H,25,27).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide?
N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 35618286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).