N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide

C21H24FN3O4S2 — CID 46335552

IUPACN-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4S2/c1-15-21(16(2)29-23-15)31(26,27)25(19-5-3-18(22)4-6-19)13-20-11-17(14-30-20)12-24-7-9-28-10-8-24/h3-6,11,14H,7-10,12-13H2,1-2H3
InChIKeyBVCIUHXHCSCJJQ-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.72
Rot. Bonds7

About N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide

N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 46335552) has the molecular formula C21H24FN3O4S2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID46335552
Molecular FormulaC21H24FN3O4S2
Molecular Weight465.57 g/mol
Exact Mass465.12
IUPAC NameN-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O4S2/c1-15-21(16(2)29-23-15)31(26,27)25(19-5-3-18(22)4-6-19)13-20-11-17(14-30-20)12-24-7-9-28-10-8-24/h3-6,11,14H,7-10,12-13H2,1-2H3
InChIKeyBVCIUHXHCSCJJQ-UHFFFAOYSA-N
XLogP3.72
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-4-methoxy-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934660
2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934643
N-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934648
N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934635
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308132
N-benzyl-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3682989
N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 110360783
N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
CID 63233772
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 46335552) is N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BVCIUHXHCSCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S2/c1-15-21(16(2)29-23-15)31(26,27)25(19-5-3-18(22)4-6-19)13-20-11-17(14-30-20)12-24-7-9-28-10-8-24/h3-6,11,14H,7-10,12-13H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 465.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 46335552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).