propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate

C17H22N2O4S — CID 3852604

IUPACpropan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H22N2O4S/c1-12(2)23-17(20)11-18-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)19(3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyBBYKAVMGKXVXJE-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.14
Rot. Bonds6

About propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate

propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate (PubChem CID 3852604) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate
PubChem CID3852604
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namepropan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H22N2O4S/c1-12(2)23-17(20)11-18-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)19(3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyBBYKAVMGKXVXJE-UHFFFAOYSA-N
XLogP2.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]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

methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
CID 10641161
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
tert-butyl 2-amino-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoate
CID 67601202
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate (CID 3852604) is propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate is CC(C)OC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate?
The InChIKey is BBYKAVMGKXVXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12(2)23-17(20)11-18-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)19(3)4/h5-10,12,18H,11H2,1-4H3.
What are the key properties of propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate?
propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate has a molecular weight of 350.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate is sourced from PubChem (CID 3852604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).