N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H28N2O5S — CID 134030951

IUPACN,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C24H28N2O5S/c1-4-25(5-2)32(28,29)20-9-11-22-17(13-20)7-6-12-26(22)24(27)14-18-16-31-23-15-19(30-3)8-10-21(18)23/h8-11,13,15-16H,4-7,12,14H2,1-3H3
InChIKeyBEWBFBGRKPFLSY-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.99
Rot. Bonds7

About N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 134030951) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID134030951
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C24H28N2O5S/c1-4-25(5-2)32(28,29)20-9-11-22-17(13-20)7-6-12-26(22)24(27)14-18-16-31-23-15-19(30-3)8-10-21(18)23/h8-11,13,15-16H,4-7,12,14H2,1-3H3
InChIKeyBEWBFBGRKPFLSY-UHFFFAOYSA-N
XLogP3.99
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 78873057
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435178
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435327

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 134030951) is N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is BEWBFBGRKPFLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-4-25(5-2)32(28,29)20-9-11-22-17(13-20)7-6-12-26(22)24(27)14-18-16-31-23-15-19(30-3)8-10-21(18)23/h8-11,13,15-16H,4-7,12,14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 456.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 134030951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).