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

C19H28N2O4S — CID 110604959

IUPAC1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC3CCCCO3)ccc21
InChIInChI=1S/C19H28N2O4S/c1-15(22)21-11-5-6-16-14-18(8-9-19(16)21)26(23,24)20(2)12-10-17-7-3-4-13-25-17/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyDEZLMHIRLZNGCS-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.57
Rot. Bonds5

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

1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 110604959) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID110604959
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC3CCCCO3)ccc21
InChIInChI=1S/C19H28N2O4S/c1-15(22)21-11-5-6-16-14-18(8-9-19(16)21)26(23,24)20(2)12-10-17-7-3-4-13-25-17/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyDEZLMHIRLZNGCS-UHFFFAOYSA-N
XLogP2.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435716
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-cyclopropyl-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539684
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 110604959) is 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC3CCCCO3)ccc21.
What is the InChIKey of 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is DEZLMHIRLZNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15(22)21-11-5-6-16-14-18(8-9-19(16)21)26(23,24)20(2)12-10-17-7-3-4-13-25-17/h8-9,14,17H,3-7,10-13H2,1-2H3.
What are the key properties of 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 110604959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).