N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H25N3O4S — CID 71810230

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(2)27(24,25)18-5-3-15(4-6-18)11-19(23)21-16-12-20-22(13-16)17-7-9-26-10-8-17/h3-6,12-14,17H,7-11H2,1-2H3,(H,21,23)
InChIKeySHTRUDUHSQCBNO-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.60
Rot. Bonds6

About N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71810230) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71810230
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(2)27(24,25)18-5-3-15(4-6-18)11-19(23)21-16-12-20-22(13-16)17-7-9-26-10-8-17/h3-6,12-14,17H,7-11H2,1-2H3,(H,21,23)
InChIKeySHTRUDUHSQCBNO-UHFFFAOYSA-N
XLogP2.60
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121016982
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121152792
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyridin-3-yloxyacetamide
CID 90597591
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71810230) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2)cc1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is SHTRUDUHSQCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14(2)27(24,25)18-5-3-15(4-6-18)11-19(23)21-16-12-20-22(13-16)17-7-9-26-10-8-17/h3-6,12-14,17H,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71810230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).