N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide

C18H19NO3S — CID 71932285

IUPACN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1c1cccc2ccccc12
InChIInChI=1S/C18H19NO3S/c20-18(19-13-8-9-23(21,22)11-13)17-10-16(17)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16-17H,8-11H2,(H,19,20)
InChIKeyIMJRUXGIVPYMCP-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.25
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 71932285) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID71932285
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1c1cccc2ccccc12
InChIInChI=1S/C18H19NO3S/c20-18(19-13-8-9-23(21,22)11-13)17-10-16(17)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16-17H,8-11H2,(H,19,20)
InChIKeyIMJRUXGIVPYMCP-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138204
1-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135309
1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138178
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
(4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017884
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide (CID 71932285) is N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CC1c1cccc2ccccc12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is IMJRUXGIVPYMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(19-13-8-9-23(21,22)11-13)17-10-16(17)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16-17H,8-11H2,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 71932285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).