N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide

C21H19N3O4S — CID 90580327

IUPACN-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C21H19N3O4S/c1-16(25)24-18-7-10-20(11-8-18)29(26,27)23-13-2-3-14-28-19-9-6-17-5-4-12-22-21(17)15-19/h4-12,15,23H,13-14H2,1H3,(H,24,25)
InChIKeySYQXDLXSNNGVDY-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.55
Rot. Bonds6

About N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide

N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide (PubChem CID 90580327) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide
PubChem CID90580327
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C21H19N3O4S/c1-16(25)24-18-7-10-20(11-8-18)29(26,27)23-13-2-3-14-28-19-9-6-17-5-4-12-22-21(17)15-19/h4-12,15,23H,13-14H2,1H3,(H,24,25)
InChIKeySYQXDLXSNNGVDY-UHFFFAOYSA-N
XLogP2.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-quinolin-7-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90580361
3-chloro-4-fluoro-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580360
N-[4-[4-[3-(trifluoromethyl)phenoxy]but-2-ynylsulfamoyl]phenyl]acetamide
CID 71803054
3-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580365
5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580362
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide
CID 90577902
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580086

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide (CID 90580327) is N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc3cccnc3c2)cc1.
What is the InChIKey of N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide?
The InChIKey is SYQXDLXSNNGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-16(25)24-18-7-10-20(11-8-18)29(26,27)23-13-2-3-14-28-19-9-6-17-5-4-12-22-21(17)15-19/h4-12,15,23H,13-14H2,1H3,(H,24,25).
What are the key properties of N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide?
N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-quinolin-7-yloxybut-2-ynylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 90580327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).