4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide

C24H27N3O4S — CID 39316541

IUPAC4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H27N3O4S/c1-2-18-8-9-21(17-22(18)32(29,30)27-13-15-31-16-14-27)24(28)26-12-10-20-6-3-5-19-7-4-11-25-23(19)20/h3-9,11,17H,2,10,12-16H2,1H3,(H,26,28)
InChIKeyQTAAPAVLXJGZBC-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.79
Rot. Bonds7

About 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide

4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide (PubChem CID 39316541) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
PubChem CID39316541
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H27N3O4S/c1-2-18-8-9-21(17-22(18)32(29,30)27-13-15-31-16-14-27)24(28)26-12-10-20-6-3-5-19-7-4-11-25-23(19)20/h3-9,11,17H,2,10,12-16H2,1H3,(H,26,28)
InChIKeyQTAAPAVLXJGZBC-UHFFFAOYSA-N
XLogP2.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55724631
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 46443053
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349202
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 78836589

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide (CID 39316541) is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide.
What is the SMILES notation for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The canonical SMILES for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide is CCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The InChIKey is QTAAPAVLXJGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-2-18-8-9-21(17-22(18)32(29,30)27-13-15-31-16-14-27)24(28)26-12-10-20-6-3-5-19-7-4-11-25-23(19)20/h3-9,11,17H,2,10,12-16H2,1H3,(H,26,28).
What are the key properties of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide is sourced from PubChem (CID 39316541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).