[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

C21H25N3O3S — CID 110623260

IUPAC[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C21H25N3O3S/c25-21(16-7-2-1-3-8-16)24-14-6-9-17-15-19(12-13-20(17)24)23-28(26,27)22-18-10-4-5-11-18/h1-3,7-8,12-13,15,18,22-23H,4-6,9-11,14H2
InChIKeyNPGGBOFRZNUEDN-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.47
Rot. Bonds5

About [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 110623260) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID110623260
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C21H25N3O3S/c25-21(16-7-2-1-3-8-16)24-14-6-9-17-15-19(12-13-20(17)24)23-28(26,27)22-18-10-4-5-11-18/h1-3,7-8,12-13,15,18,22-23H,4-6,9-11,14H2
InChIKeyNPGGBOFRZNUEDN-UHFFFAOYSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 110623260) is [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is NPGGBOFRZNUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(16-7-2-1-3-8-16)24-14-6-9-17-15-19(12-13-20(17)24)23-28(26,27)22-18-10-4-5-11-18/h1-3,7-8,12-13,15,18,22-23H,4-6,9-11,14H2.
What are the key properties of [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 399.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 110623260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).