trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H19NO2S2 — CID 97204291

IUPACtrans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H19NO2S2/c20-17(15-11-14(15)16-6-2-7-21-16)19-13-5-1-4-12(10-13)18-22-8-3-9-23-18/h1-2,4-7,10,14-15,18H,3,8-9,11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyJIUZKCXZMLZPBV-HUUCEWRRSA-N
MW345.49 g/mol
LogP4.89
Rot. Bonds4

About trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97204291) has the molecular formula C18H19NO2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97204291
Molecular FormulaC18H19NO2S2
Molecular Weight345.49 g/mol
Exact Mass345.09
IUPAC Nametrans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H19NO2S2/c20-17(15-11-14(15)16-6-2-7-21-16)19-13-5-1-4-12(10-13)18-22-8-3-9-23-18/h1-2,4-7,10,14-15,18H,3,8-9,11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyJIUZKCXZMLZPBV-HUUCEWRRSA-N
XLogP4.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545
N-[3-[3-(1,3-dithian-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 27842854
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
2-(furan-2-yl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopropane-1-carboxamide
CID 71863784
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
N-[3-(1,3-dithian-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041326
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97204291) is trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is JIUZKCXZMLZPBV-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H19NO2S2/c20-17(15-11-14(15)16-6-2-7-21-16)19-13-5-1-4-12(10-13)18-22-8-3-9-23-18/h1-2,4-7,10,14-15,18H,3,8-9,11H2,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(1,3-dithian-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97204291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).