trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide

C18H21N3O4S — CID 99708524

IUPACtrans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-17(16-10-15(16)12-5-2-1-3-6-12)21-26(23,24)14-8-4-7-13(9-14)18-20-19-11-25-18/h4,7-9,11-12,15-16H,1-3,5-6,10H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyHQRSASTTYSUHMY-HOTGVXAUSA-N
MW375.45 g/mol
LogP2.76
Rot. Bonds5

About trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide

trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 99708524) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
PubChem CID99708524
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Nametrans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-17(16-10-15(16)12-5-2-1-3-6-12)21-26(23,24)14-8-4-7-13(9-14)18-20-19-11-25-18/h4,7-9,11-12,15-16H,1-3,5-6,10H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyHQRSASTTYSUHMY-HOTGVXAUSA-N
XLogP2.76
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide (CID 99708524) is trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is HQRSASTTYSUHMY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-17(16-10-15(16)12-5-2-1-3-6-12)21-26(23,24)14-8-4-7-13(9-14)18-20-19-11-25-18/h4,7-9,11-12,15-16H,1-3,5-6,10H2,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide?
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 99708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).