N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C18H27N3O6S — CID 55674739

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)C2CCCN2C(=O)c2ccco2)CC(C)O1
InChIInChI=1S/C18H27N3O6S/c1-13-11-20(12-14(2)27-13)28(24,25)10-7-19-17(22)15-5-3-8-21(15)18(23)16-6-4-9-26-16/h4,6,9,13-15H,3,5,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyBYZSJNVDQJETQO-UHFFFAOYSA-N
MW413.50 g/mol
LogP0.44
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55674739) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55674739
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)C2CCCN2C(=O)c2ccco2)CC(C)O1
InChIInChI=1S/C18H27N3O6S/c1-13-11-20(12-14(2)27-13)28(24,25)10-7-19-17(22)15-5-3-8-21(15)18(23)16-6-4-9-26-16/h4,6,9,13-15H,3,5,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyBYZSJNVDQJETQO-UHFFFAOYSA-N
XLogP0.44
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
1-(furan-2-carbonyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-2-carboxamide
CID 55974900
(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24582300

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 55674739) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is CC1CN(S(=O)(=O)CCNC(=O)C2CCCN2C(=O)c2ccco2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BYZSJNVDQJETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-13-11-20(12-14(2)27-13)28(24,25)10-7-19-17(22)15-5-3-8-21(15)18(23)16-6-4-9-26-16/h4,6,9,13-15H,3,5,7-8,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55674739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).