N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide

C18H21NO4S — CID 18132097

IUPACN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO4S/c1-3-23-17-11-14-7-5-4-6-13(14)10-16(17)18(20)19(2)15-8-9-24(21,22)12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyLWXVKDJPAVSPQY-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.50
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide (PubChem CID 18132097) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide
PubChem CID18132097
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO4S/c1-3-23-17-11-14-7-5-4-6-13(14)10-16(17)18(20)19(2)15-8-9-24(21,22)12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyLWXVKDJPAVSPQY-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)-N-methylacetamide
CID 2317878
N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 134054053
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethoxyphenyl)-N,2,2-trimethylpropanediamide
CID 108964769
N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 39125492
N-(1,1-dioxothiolan-3-yl)-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159513
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide (CID 18132097) is N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is LWXVKDJPAVSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-23-17-11-14-7-5-4-6-13(14)10-16(17)18(20)19(2)15-8-9-24(21,22)12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 18132097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).