cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide

C15H15NO6S2 — CID 95161414

IUPACcis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyHBELYJZRBWEPID-QWHCGFSZSA-N
MW369.42 g/mol
LogP1.29
Rot. Bonds5

About cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide

cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 95161414) has the molecular formula C15H15NO6S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID95161414
Molecular FormulaC15H15NO6S2
Molecular Weight369.42 g/mol
Exact Mass369.03
IUPAC Namecis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyHBELYJZRBWEPID-QWHCGFSZSA-N
XLogP1.29
TPSA110.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95589094
N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
CID 71890926
2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545
cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
CID 94215656
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
2-(furan-2-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
CID 86852835
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450071
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide (CID 95161414) is cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide is CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1.
What is the InChIKey of cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is HBELYJZRBWEPID-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 95161414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).