N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

C19H19F2N3O4S2 — CID 24677287

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CSC(Cc3ccc(F)cc3)C(=O)N2)ccc1F
InChIInChI=1S/C19H19F2N3O4S2/c1-30(27,28)24-15-9-13(6-7-14(15)21)22-18(25)16-10-29-17(19(26)23-16)8-11-2-4-12(20)5-3-11/h2-7,9,16-17,24H,8,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyCZLFKVOHZBZIIX-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.12
Rot. Bonds6

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 24677287) has the molecular formula C19H19F2N3O4S2 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID24677287
Molecular FormulaC19H19F2N3O4S2
Molecular Weight455.51 g/mol
Exact Mass455.08
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CSC(Cc3ccc(F)cc3)C(=O)N2)ccc1F
InChIInChI=1S/C19H19F2N3O4S2/c1-30(27,28)24-15-9-13(6-7-14(15)21)22-18(25)16-10-29-17(19(26)23-16)8-11-2-4-12(20)5-3-11/h2-7,9,16-17,24H,8,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyCZLFKVOHZBZIIX-UHFFFAOYSA-N
XLogP2.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide with MolForge

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Related Compounds

(3R,6R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 32767074
(3S,6S)-N-(2-ethylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 51933187
(3R,6R)-N-(2-ethylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 51933184
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 24621420
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-(3-ethoxypropyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 24672365
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 24653802
6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiomorpholine-3-carboxamide
CID 24653877
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378855
(3R,6R)-N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 98369337
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66009570

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide (CID 24677287) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)C2CSC(Cc3ccc(F)cc3)C(=O)N2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is CZLFKVOHZBZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S2/c1-30(27,28)24-15-9-13(6-7-14(15)21)22-18(25)16-10-29-17(19(26)23-16)8-11-2-4-12(20)5-3-11/h2-7,9,16-17,24H,8,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 24677287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).