2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H22FN5O4S — CID 9152681

IUPAC2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O4S/c1-11-17(12(2)23(4)21-11)20-15(24)9-19-16(25)10-22(3)28(26,27)14-7-5-13(18)6-8-14/h5-8H,9-10H2,1-4H3,(H,19,25)(H,20,24)
InChIKeyXCZRSDJWKUXXSA-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.55
Rot. Bonds7

About 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9152681) has the molecular formula C17H22FN5O4S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9152681
Molecular FormulaC17H22FN5O4S
Molecular Weight411.46 g/mol
Exact Mass411.14
IUPAC Name2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O4S/c1-11-17(12(2)23(4)21-11)20-15(24)9-19-16(25)10-22(3)28(26,27)14-7-5-13(18)6-8-14/h5-8H,9-10H2,1-4H3,(H,19,25)(H,20,24)
InChIKeyXCZRSDJWKUXXSA-UHFFFAOYSA-N
XLogP0.55
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

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Related Compounds

4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9152515
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
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CID 126817804
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
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CID 9365896
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 8936085
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9152681) is 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is XCZRSDJWKUXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O4S/c1-11-17(12(2)23(4)21-11)20-15(24)9-19-16(25)10-22(3)28(26,27)14-7-5-13(18)6-8-14/h5-8H,9-10H2,1-4H3,(H,19,25)(H,20,24).
What are the key properties of 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9152681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).