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

C21H22N2O4S — CID 86910202

IUPAC1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C21H22N2O4S/c1-14(21-13-17-6-3-4-8-20(17)27-21)22-28(25,26)18-9-10-19-16(12-18)7-5-11-23(19)15(2)24/h3-4,6,8-10,12-14,22H,5,7,11H2,1-2H3
InChIKeyMICDTTUUMHJRJV-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.77
Rot. Bonds4

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

1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 86910202) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID86910202
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C21H22N2O4S/c1-14(21-13-17-6-3-4-8-20(17)27-21)22-28(25,26)18-9-10-19-16(12-18)7-5-11-23(19)15(2)24/h3-4,6,8-10,12-14,22H,5,7,11H2,1-2H3
InChIKeyMICDTTUUMHJRJV-UHFFFAOYSA-N
XLogP3.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970376
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133191767

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 86910202) is 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC(C)c3cc4ccccc4o3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MICDTTUUMHJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14(21-13-17-6-3-4-8-20(17)27-21)22-28(25,26)18-9-10-19-16(12-18)7-5-11-23(19)15(2)24/h3-4,6,8-10,12-14,22H,5,7,11H2,1-2H3.
What are the key properties of 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 86910202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).