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

C18H22N4O4S2 — CID 141350266

IUPACN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NS(C)(=O)=O)[nH]n3)s2)cc1
InChIInChI=1S/C18H22N4O4S2/c1-11(2)25-13-5-7-14(8-6-13)26-18-19-10-17(27-18)16-9-15(20-21-16)12(3)22-28(4,23)24/h5-12,22H,1-4H3,(H,20,21)
InChIKeyUPWISBWBXVZIMU-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.72
Rot. Bonds8

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

N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide (PubChem CID 141350266) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide
PubChem CID141350266
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NS(C)(=O)=O)[nH]n3)s2)cc1
InChIInChI=1S/C18H22N4O4S2/c1-11(2)25-13-5-7-14(8-6-13)26-18-19-10-17(27-18)16-9-15(20-21-16)12(3)22-28(4,23)24/h5-12,22H,1-4H3,(H,20,21)
InChIKeyUPWISBWBXVZIMU-UHFFFAOYSA-N
XLogP3.72
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide (CID 141350266) is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide is CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NS(C)(=O)=O)[nH]n3)s2)cc1.
What is the InChIKey of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide?
The InChIKey is UPWISBWBXVZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-11(2)25-13-5-7-14(8-6-13)26-18-19-10-17(27-18)16-9-15(20-21-16)12(3)22-28(4,23)24/h5-12,22H,1-4H3,(H,20,21).
What are the key properties of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide?
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]methanesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1H-pyrazol-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 141350266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).