sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate

C18H17N2NaO5 — CID 166237694

IUPACsodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1.[Na+]
InChIInChI=1S/C18H18N2O5.Na/c1-18(2)13(14(18)17(23)24)16(22)20-12-5-3-4-11(8-12)19-15(21)10-6-7-25-9-10;/h3-9,13-14H,1-2H3,(H,19,21)(H,20,22)(H,23,24);/q;+1/p-1/t13-,14+;/m1./s1
InChIKeyJUMPJNNGAKYRAI-DFQHDRSWSA-M
MW364.33 g/mol
LogP-1.50
Rot. Bonds5

About sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate

sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 166237694) has the molecular formula C18H17N2NaO5 and a molecular weight of 364.33 g/mol. Its IUPAC name is sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namesodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID166237694
Molecular FormulaC18H17N2NaO5
Molecular Weight364.33 g/mol
Exact Mass364.10
IUPAC Namesodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1.[Na+]
InChIInChI=1S/C18H18N2O5.Na/c1-18(2)13(14(18)17(23)24)16(22)20-12-5-3-4-11(8-12)19-15(21)10-6-7-25-9-10;/h3-9,13-14H,1-2H3,(H,19,21)(H,20,22)(H,23,24);/q;+1/p-1/t13-,14+;/m1./s1
InChIKeyJUMPJNNGAKYRAI-DFQHDRSWSA-M
XLogP-1.50
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide
CID 167962915
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078447
N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide
CID 68644640

Frequently Asked Questions

What is the IUPAC name of sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 166237694) is sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1.[Na+].
What is the InChIKey of sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is JUMPJNNGAKYRAI-DFQHDRSWSA-M. The full InChI is InChI=1S/C18H18N2O5.Na/c1-18(2)13(14(18)17(23)24)16(22)20-12-5-3-4-11(8-12)19-15(21)10-6-7-25-9-10;/h3-9,13-14H,1-2H3,(H,19,21)(H,20,22)(H,23,24);/q;+1/p-1/t13-,14+;/m1./s1.
What are the key properties of sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 364.33 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 166237694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).