3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

C20H28N4O4S — CID 46345139

IUPAC3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1C
InChIInChI=1S/C20H28N4O4S/c1-14-6-5-7-18(15(14)2)21-19(25)8-9-24-17(4)20(16(3)22-24)29(26,27)23-10-12-28-13-11-23/h5-7H,8-13H2,1-4H3,(H,21,25)
InChIKeyUVZCDXRJXGHUFM-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.17
Rot. Bonds6

About 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 46345139) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID46345139
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1C
InChIInChI=1S/C20H28N4O4S/c1-14-6-5-7-18(15(14)2)21-19(25)8-9-24-17(4)20(16(3)22-24)29(26,27)23-10-12-28-13-11-23/h5-7H,8-13H2,1-4H3,(H,21,25)
InChIKeyUVZCDXRJXGHUFM-UHFFFAOYSA-N
XLogP2.17
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345192
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(2,3-dimethylphenyl)benzamide
CID 53139572
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8561821

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (CID 46345139) is 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1C.
What is the InChIKey of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is UVZCDXRJXGHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-6-5-7-18(15(14)2)21-19(25)8-9-24-17(4)20(16(3)22-24)29(26,27)23-10-12-28-13-11-23/h5-7H,8-13H2,1-4H3,(H,21,25).
What are the key properties of 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 420.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 46345139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).