N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide

C21H27N5O5S — CID 24582052

IUPACN-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N5O5S/c1-14-20(32(29,30)25-8-10-31-11-9-25)15(2)26(24-14)13-19(27)22-18-5-3-4-16(12-18)21(28)23-17-6-7-17/h3-5,12,17H,6-11,13H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyRBFRXBQOFLBFRE-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.05
Rot. Bonds7

About N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide (PubChem CID 24582052) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
PubChem CID24582052
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC NameN-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N5O5S/c1-14-20(32(29,30)25-8-10-31-11-9-25)15(2)26(24-14)13-19(27)22-18-5-3-4-16(12-18)21(28)23-17-6-7-17/h3-5,12,17H,6-11,13H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyRBFRXBQOFLBFRE-UHFFFAOYSA-N
XLogP1.05
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8561821
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8562074
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 53139549
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide (CID 24582052) is N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide is Cc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is RBFRXBQOFLBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-14-20(32(29,30)25-8-10-31-11-9-25)15(2)26(24-14)13-19(27)22-18-5-3-4-16(12-18)21(28)23-17-6-7-17/h3-5,12,17H,6-11,13H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 461.54 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 24582052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).