trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

C18H22N2O3S — CID 95157526

IUPACtrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-10-19-18(21)17-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17,20H,2,10-12H2,1H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyQRYHVWCNRZPKGZ-DLBZAZTESA-N
MW346.45 g/mol
LogP2.00
Rot. Bonds7

About trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 95157526) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID95157526
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nametrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-10-19-18(21)17-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17,20H,2,10-12H2,1H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyQRYHVWCNRZPKGZ-DLBZAZTESA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
2-naphthalen-1-yl-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide
CID 71932261
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
CID 94816215
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 120891654
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134054969
2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
CID 97066219
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (CID 95157526) is trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide is CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12.
What is the InChIKey of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is QRYHVWCNRZPKGZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-10-19-18(21)17-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17,20H,2,10-12H2,1H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95157526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).