N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C22H20N2O5S2 — CID 27555241

IUPACN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C22H20N2O5S2/c25-22(21-4-2-12-30-21)24-9-1-3-15-5-6-16(13-18(15)24)23-31(26,27)17-7-8-19-20(14-17)29-11-10-28-19/h2,4-8,12-14,23H,1,3,9-11H2
InChIKeyFSMQZWLPKGYQNV-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 27555241) has the molecular formula C22H20N2O5S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID27555241
Molecular FormulaC22H20N2O5S2
Molecular Weight456.55 g/mol
Exact Mass456.08
IUPAC NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C22H20N2O5S2/c25-22(21-4-2-12-30-21)24-9-1-3-15-5-6-16(13-18(15)24)23-31(26,27)17-7-8-19-20(14-17)29-11-10-28-19/h2,4-8,12-14,23H,1,3,9-11H2
InChIKeyFSMQZWLPKGYQNV-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 27443773
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 27558234
[6-(propan-2-ylsulfamoylamino)-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 110623599
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41080426
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 27555241) is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FSMQZWLPKGYQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S2/c25-22(21-4-2-12-30-21)24-9-1-3-15-5-6-16(13-18(15)24)23-31(26,27)17-7-8-19-20(14-17)29-11-10-28-19/h2,4-8,12-14,23H,1,3,9-11H2.
What are the key properties of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 456.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 27555241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).