N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C17H20N2O5S — CID 9481709

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C17H20N2O5S/c1-13(16-6-3-9-24-16)18-17(20)14-4-2-5-15(12-14)25(21,22)19-7-10-23-11-8-19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyPPLWFYISTUSBHH-ZDUSSCGKSA-N
MW364.42 g/mol
LogP1.79
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9481709) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9481709
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C17H20N2O5S/c1-13(16-6-3-9-24-16)18-17(20)14-4-2-5-15(12-14)25(21,22)19-7-10-23-11-8-19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyPPLWFYISTUSBHH-ZDUSSCGKSA-N
XLogP1.79
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8856465
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55893625
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 9481709) is N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PPLWFYISTUSBHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13(16-6-3-9-24-16)18-17(20)14-4-2-5-15(12-14)25(21,22)19-7-10-23-11-8-19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).