N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide

C17H20N4O5S2 — CID 23648840

IUPACN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3noc(C(C)NS(C)(=O)=O)n3)s2)cc1
InChIInChI=1S/C17H20N4O5S2/c1-10(2)24-12-5-7-13(8-6-12)25-17-18-9-14(27-17)15-19-16(26-20-15)11(3)21-28(4,22)23/h5-11,21H,1-4H3
InChIKeyPSUIKHGJMASDIV-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.38
Rot. Bonds8

About N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide

N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide (PubChem CID 23648840) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
PubChem CID23648840
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3noc(C(C)NS(C)(=O)=O)n3)s2)cc1
InChIInChI=1S/C17H20N4O5S2/c1-10(2)24-12-5-7-13(8-6-12)25-17-18-9-14(27-17)15-19-16(26-20-15)11(3)21-28(4,22)23/h5-11,21H,1-4H3
InChIKeyPSUIKHGJMASDIV-UHFFFAOYSA-N
XLogP3.38
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435327
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 46262831
N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 134135268
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265
5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
CID 67097044
2-[(1R)-1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435608
2-methyl-N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]propanamide
CID 141350280
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
4-methyl-N-[1-[3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 171682385
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide (CID 23648840) is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide is CC(C)Oc1ccc(Oc2ncc(-c3noc(C(C)NS(C)(=O)=O)n3)s2)cc1.
What is the InChIKey of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The InChIKey is PSUIKHGJMASDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c1-10(2)24-12-5-7-13(8-6-12)25-17-18-9-14(27-17)15-19-16(26-20-15)11(3)21-28(4,22)23/h5-11,21H,1-4H3.
What are the key properties of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide has a molecular weight of 424.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 23648840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).