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

C20H27N3O4S — CID 121016982

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC3CCCCO3)c2)cc1
InChIInChI=1S/C20H27N3O4S/c1-15(2)28(25,26)19-8-6-16(7-9-19)11-20(24)22-17-12-21-23(13-17)14-18-5-3-4-10-27-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyWRQGDZMVTZGVFA-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.82
Rot. Bonds7

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

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 121016982) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID121016982
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC3CCCCO3)c2)cc1
InChIInChI=1S/C20H27N3O4S/c1-15(2)28(25,26)19-8-6-16(7-9-19)11-20(24)22-17-12-21-23(13-17)14-18-5-3-4-10-27-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyWRQGDZMVTZGVFA-UHFFFAOYSA-N
XLogP2.82
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 71810230
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129356151
2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 121016982) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC3CCCCO3)c2)cc1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is WRQGDZMVTZGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-15(2)28(25,26)19-8-6-16(7-9-19)11-20(24)22-17-12-21-23(13-17)14-18-5-3-4-10-27-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 121016982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).