N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide

C17H20ClFN4O5S2 — CID 174488614

IUPACN'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide
SMILESCC(C)COc1cc(F)ccc1N(C(=O)C(N)=O)c1nc(CNS(C)(=O)=O)c(Cl)s1
InChIInChI=1S/C17H20ClFN4O5S2/c1-9(2)8-28-13-6-10(19)4-5-12(13)23(16(25)15(20)24)17-22-11(14(18)29-17)7-21-30(3,26)27/h4-6,9,21H,7-8H2,1-3H3,(H2,20,24)
InChIKeyGHZVGXVDAVPCFZ-UHFFFAOYSA-N
MW478.96 g/mol
LogP2.17
Rot. Bonds8

About N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide

N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide (PubChem CID 174488614) has the molecular formula C17H20ClFN4O5S2 and a molecular weight of 478.96 g/mol. Its IUPAC name is N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide
PubChem CID174488614
Molecular FormulaC17H20ClFN4O5S2
Molecular Weight478.96 g/mol
Exact Mass478.05
IUPAC NameN'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide
SMILESCC(C)COc1cc(F)ccc1N(C(=O)C(N)=O)c1nc(CNS(C)(=O)=O)c(Cl)s1
InChIInChI=1S/C17H20ClFN4O5S2/c1-9(2)8-28-13-6-10(19)4-5-12(13)23(16(25)15(20)24)17-22-11(14(18)29-17)7-21-30(3,26)27/h4-6,9,21H,7-8H2,1-3H3,(H2,20,24)
InChIKeyGHZVGXVDAVPCFZ-UHFFFAOYSA-N
XLogP2.17
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-methyl-2-(2-methylpropoxy)phenyl]-N'-(5-methyl-4-sulfanyl-1,3-thiazol-2-yl)oxamide
CID 174488700
N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide
CID 87417258
N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
CID 174488668
N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-(2-hexanoyl-4-methylphenyl)propanediamide
CID 174545501
N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide
CID 87230721
N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-pyridin-2-ylsulfanyl-1,3-thiazol-2-yl]propanediamide
CID 87231364
N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]-N-[2-(2-methylpropoxy)phenyl]propanediamide
CID 87230284
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
N'-(5-chloro-1,3-thiazol-2-yl)-N-[4-fluoro-2-(2-methylpropoxy)phenyl]propanediamide
CID 87230927
1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,2,4-thiadiazol-5-yl)urea
CID 66999180
N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide
CID 87230669
N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
CID 110780215

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide?
The IUPAC name of N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide (CID 174488614) is N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide.
What is the SMILES notation for N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide?
The canonical SMILES for N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide is CC(C)COc1cc(F)ccc1N(C(=O)C(N)=O)c1nc(CNS(C)(=O)=O)c(Cl)s1.
What is the InChIKey of N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide?
The InChIKey is GHZVGXVDAVPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O5S2/c1-9(2)8-28-13-6-10(19)4-5-12(13)23(16(25)15(20)24)17-22-11(14(18)29-17)7-21-30(3,26)27/h4-6,9,21H,7-8H2,1-3H3,(H2,20,24).
What are the key properties of N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide?
N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide has a molecular weight of 478.96 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N'-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide is sourced from PubChem (CID 174488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).