N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

C22H27N3O5S — CID 21091096

IUPACN-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16(2)30-22-15-21(25(24-22)18-7-11-19(28-3)12-8-18)17-5-9-20(10-6-17)29-14-13-23-31(4,26)27/h5-12,15-16,23H,13-14H2,1-4H3
InChIKeyXQAUIFLVBANMNL-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.26
Rot. Bonds10

About N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (PubChem CID 21091096) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
PubChem CID21091096
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16(2)30-22-15-21(25(24-22)18-7-11-19(28-3)12-8-18)17-5-9-20(10-6-17)29-14-13-23-31(4,26)27/h5-12,15-16,23H,13-14H2,1-4H3
InChIKeyXQAUIFLVBANMNL-UHFFFAOYSA-N
XLogP3.26
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843
4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]benzonitrile
CID 21090930
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091094
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 58806813
2-[4-[2-(4-methoxyphenyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10386925

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (CID 21091096) is N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The InChIKey is XQAUIFLVBANMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16(2)30-22-15-21(25(24-22)18-7-11-19(28-3)12-8-18)17-5-9-20(10-6-17)29-14-13-23-31(4,26)27/h5-12,15-16,23H,13-14H2,1-4H3.
What are the key properties of N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 21091096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).