methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate

C16H21NO4S — CID 52599748

IUPACmethyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H21NO4S/c1-3-10-17(12-16(18)21-2)22(19,20)15-9-8-13-6-4-5-7-14(13)11-15/h4-7,11H,3,8-10,12H2,1-2H3
InChIKeyMCJLHDJYGIPDBJ-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate

methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate (PubChem CID 52599748) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate
PubChem CID52599748
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Namemethyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H21NO4S/c1-3-10-17(12-16(18)21-2)22(19,20)15-9-8-13-6-4-5-7-14(13)11-15/h4-7,11H,3,8-10,12H2,1-2H3
InChIKeyMCJLHDJYGIPDBJ-UHFFFAOYSA-N
XLogP2.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide
CID 55361587
2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18190586
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3,4-dihydronaphthalene-2-sulfonamide
CID 39912428
N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
CID 46807825
methyl 2-[(3-nitrophenyl)sulfonyl-propylamino]acetate
CID 61072138
N-(furan-2-ylmethyl)-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
CID 18190601
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
CID 55905067
methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate (CID 52599748) is methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate is CCCN(CC(=O)OC)S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate?
The InChIKey is MCJLHDJYGIPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-3-10-17(12-16(18)21-2)22(19,20)15-9-8-13-6-4-5-7-14(13)11-15/h4-7,11H,3,8-10,12H2,1-2H3.
What are the key properties of methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate?
methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate has a molecular weight of 323.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate is sourced from PubChem (CID 52599748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).