4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide

C17H22F2N2O4S — CID 126776905

IUPAC4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1COCCN1CC1CCC1
InChIInChI=1S/C17H22F2N2O4S/c18-17(19)26(23,24)14-6-2-5-13(9-14)20-16(22)15-11-25-8-7-21(15)10-12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2,(H,20,22)
InChIKeyGJSFBXZOEDKVPY-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.12
Rot. Bonds6

About 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide

4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide (PubChem CID 126776905) has the molecular formula C17H22F2N2O4S and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
PubChem CID126776905
Molecular FormulaC17H22F2N2O4S
Molecular Weight388.44 g/mol
Exact Mass388.13
IUPAC Name4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1COCCN1CC1CCC1
InChIInChI=1S/C17H22F2N2O4S/c18-17(19)26(23,24)14-6-2-5-13(9-14)20-16(22)15-11-25-8-7-21(15)10-12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2,(H,20,22)
InChIKeyGJSFBXZOEDKVPY-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 86801210
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119770493
1-[3-(difluoromethylsulfonyl)phenyl]-3-[2-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 96542049
3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
CID 119315938
(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
CID 97257785
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
(3R,4S)-N-[3-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120930674
tert-butyl N-[(2S)-2-cyclopropyl-2-[[3-(difluoromethylsulfonyl)phenyl]carbamoylamino]propyl]carbamate
CID 96541777
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
CID 77437633
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide (CID 126776905) is 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1COCCN1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide?
The InChIKey is GJSFBXZOEDKVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O4S/c18-17(19)26(23,24)14-6-2-5-13(9-14)20-16(22)15-11-25-8-7-21(15)10-12-3-1-4-12/h2,5-6,9,12,15,17H,1,3-4,7-8,10-11H2,(H,20,22).
What are the key properties of 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide?
4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 126776905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).