2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide

C22H22N2O3S2 — CID 27558234

IUPAC2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21
InChIInChI=1S/C22H22N2O3S2/c25-22(21-9-5-14-28-21)24-13-4-8-18-10-11-19(16-20(18)24)23-29(26,27)15-12-17-6-2-1-3-7-17/h1-3,5-7,9-11,14,16,23H,4,8,12-13,15H2
InChIKeyFAEJBLUACODPNH-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.33
Rot. Bonds6

About 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide

2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide (PubChem CID 27558234) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
PubChem CID27558234
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
SMILESO=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21
InChIInChI=1S/C22H22N2O3S2/c25-22(21-9-5-14-28-21)24-13-4-8-18-10-11-19(16-20(18)24)23-29(26,27)15-12-17-6-2-1-3-7-17/h1-3,5-7,9-11,14,16,23H,4,8,12-13,15H2
InChIKeyFAEJBLUACODPNH-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 20962974
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-ene-1-sulfonamide
CID 7498895
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
[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]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 27555241
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 27443773
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide (CID 27558234) is 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide is O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21.
What is the InChIKey of 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The InChIKey is FAEJBLUACODPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c25-22(21-9-5-14-28-21)24-13-4-8-18-10-11-19(16-20(18)24)23-29(26,27)15-12-17-6-2-1-3-7-17/h1-3,5-7,9-11,14,16,23H,4,8,12-13,15H2.
What are the key properties of 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide is sourced from PubChem (CID 27558234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).