2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide

C21H22N2O4S3 — CID 20962974

IUPAC2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C21H22N2O4S3/c24-29(25,15-12-17-6-2-1-3-7-17)22-19-11-10-18-8-4-13-23(20(18)16-19)30(26,27)21-9-5-14-28-21/h1-3,5-7,9-11,14,16,22H,4,8,12-13,15H2
InChIKeyOQNZHNRDTVHCIV-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.87
Rot. Bonds7

About 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide

2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (PubChem CID 20962974) has the molecular formula C21H22N2O4S3 and a molecular weight of 462.62 g/mol. Its IUPAC name is 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
PubChem CID20962974
Molecular FormulaC21H22N2O4S3
Molecular Weight462.62 g/mol
Exact Mass462.07
IUPAC Name2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2
InChIInChI=1S/C21H22N2O4S3/c24-29(25,15-12-17-6-2-1-3-7-17)22-19-11-10-18-8-4-13-23(20(18)16-19)30(26,27)21-9-5-14-28-21/h1-3,5-7,9-11,14,16,22H,4,8,12-13,15H2
InChIKeyOQNZHNRDTVHCIV-UHFFFAOYSA-N
XLogP3.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 27558234
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 20962946
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxyethanesulfonamide
CID 7498951
2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide
CID 20962947
3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27546036
N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894
N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 94221452

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The IUPAC name of 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (CID 20962974) is 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2.
What is the InChIKey of 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The InChIKey is OQNZHNRDTVHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S3/c24-29(25,15-12-17-6-2-1-3-7-17)22-19-11-10-18-8-4-13-23(20(18)16-19)30(26,27)21-9-5-14-28-21/h1-3,5-7,9-11,14,16,22H,4,8,12-13,15H2.
What are the key properties of 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is sourced from PubChem (CID 20962974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).