naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

C17H15NO4S2 — CID 16560682

IUPACnaphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)Oc1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15NO4S2/c1-18(24(20,21)17-10-5-11-23-17)12-16(19)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3
InChIKeyIBGMAOUYNXZPAS-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.13
Rot. Bonds5

About naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 16560682) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID16560682
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Namenaphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)Oc1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15NO4S2/c1-18(24(20,21)17-10-5-11-23-17)12-16(19)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3
InChIKeyIBGMAOUYNXZPAS-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-methoxyacetate
CID 19894343
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 8943493
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 16560682) is naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is CN(CC(=O)Oc1cccc2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is IBGMAOUYNXZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c1-18(24(20,21)17-10-5-11-23-17)12-16(19)22-15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3.
What are the key properties of naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 361.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 16560682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).