ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate

C17H22N2O4S — CID 52708492

IUPACethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C17H22N2O4S/c1-4-11-19(12-16(20)23-5-2)24(21,22)15-9-8-13(3)17-14(15)7-6-10-18-17/h6-10H,4-5,11-12H2,1-3H3
InChIKeyLBFHCSSTMODYJD-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.51
Rot. Bonds7

About ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate

ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate (PubChem CID 52708492) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
PubChem CID52708492
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Nameethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C17H22N2O4S/c1-4-11-19(12-16(20)23-5-2)24(21,22)15-9-8-13(3)17-14(15)7-6-10-18-17/h6-10H,4-5,11-12H2,1-3H3
InChIKeyLBFHCSSTMODYJD-UHFFFAOYSA-N
XLogP2.51
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
ethyl 2-[[2-(difluoromethylsulfonyl)phenyl]sulfonyl-propylamino]acetate
CID 100675052
3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774337
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
CID 60539907
8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993933
ethyl 2-[(4-tert-butylphenyl)sulfonyl-propylamino]acetate
CID 55855485
N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
CID 104774193
2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 65427421
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate (CID 52708492) is ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate?
The InChIKey is LBFHCSSTMODYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-11-19(12-16(20)23-5-2)24(21,22)15-9-8-13(3)17-14(15)7-6-10-18-17/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate?
ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate has a molecular weight of 350.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 52708492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).