N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

C21H25N3O5S — CID 55596379

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1C
InChIInChI=1S/C21H25N3O5S/c1-13-10-17(30(22,27)28)12-19(14(13)2)24-20(25)4-3-9-29-16-6-7-18-15(11-16)5-8-21(26)23-18/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyPEVOLJLJUUTQJC-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.63
Rot. Bonds7

About N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 55596379) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
PubChem CID55596379
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1C
InChIInChI=1S/C21H25N3O5S/c1-13-10-17(30(22,27)28)12-19(14(13)2)24-20(25)4-3-9-29-16-6-7-18-15(11-16)5-8-21(26)23-18/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyPEVOLJLJUUTQJC-UHFFFAOYSA-N
XLogP2.63
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide with MolForge

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Related Compounds

N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78889333
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
ethyl 2-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]-1,3-thiazol-4-yl]acetate
CID 55595868
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (CID 55596379) is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is PEVOLJLJUUTQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-13-10-17(30(22,27)28)12-19(14(13)2)24-20(25)4-3-9-29-16-6-7-18-15(11-16)5-8-21(26)23-18/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)(H2,22,27,28).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 431.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 55596379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).