N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C23H30N2O5S — CID 28537936

IUPACN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCCC
InChIInChI=1S/C23H30N2O5S/c1-4-12-29-21-10-6-17(15-22(21)30-13-5-2)16(3)25-31(27,28)19-8-9-20-18(14-19)7-11-23(26)24-20/h6,8-10,14-16,25H,4-5,7,11-13H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyKOORYNAJLWUCBE-INIZCTEOSA-N
MW446.57 g/mol
LogP4.19
Rot. Bonds10

About N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 28537936) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID28537936
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCCC
InChIInChI=1S/C23H30N2O5S/c1-4-12-29-21-10-6-17(15-22(21)30-13-5-2)16(3)25-31(27,28)19-8-9-20-18(14-19)7-11-23(26)24-20/h6,8-10,14-16,25H,4-5,7,11-13H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyKOORYNAJLWUCBE-INIZCTEOSA-N
XLogP4.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 52524073
2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 9356126
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 94639016

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 28537936) is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCCC.
What is the InChIKey of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is KOORYNAJLWUCBE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-12-29-21-10-6-17(15-22(21)30-13-5-2)16(3)25-31(27,28)19-8-9-20-18(14-19)7-11-23(26)24-20/h6,8-10,14-16,25H,4-5,7,11-13H2,1-3H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 28537936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).