trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

C18H20N2O5S — CID 52518250

IUPACtrans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C18H20N2O5S/c21-18(16-12-15(16)17-2-1-9-25-17)19-13-3-5-14(6-4-13)26(22,23)20-7-10-24-11-8-20/h1-6,9,15-16H,7-8,10-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyOHTSATCOMREUHF-HOTGVXAUSA-N
MW376.43 g/mol
LogP2.04
Rot. Bonds5

About trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 52518250) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID52518250
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nametrans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C18H20N2O5S/c21-18(16-12-15(16)17-2-1-9-25-17)19-13-3-5-14(6-4-13)26(22,23)20-7-10-24-11-8-20/h1-6,9,15-16H,7-8,10-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyOHTSATCOMREUHF-HOTGVXAUSA-N
XLogP2.04
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 52518249
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 90135037
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
trans-(1S,3S)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 52514435

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 52518250) is trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OHTSATCOMREUHF-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-18(16-12-15(16)17-2-1-9-25-17)19-13-3-5-14(6-4-13)26(22,23)20-7-10-24-11-8-20/h1-6,9,15-16H,7-8,10-12H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52518250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).