N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide

C21H25N5O3S — CID 55816737

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-25(4-2)30(28,29)19-12-8-9-17(15-19)23-21(27)16-22-20-13-14-26(24-20)18-10-6-5-7-11-18/h5-15H,3-4,16H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyRGNPVRWEUIQXJS-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.95
Rot. Bonds9

About N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide (PubChem CID 55816737) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
PubChem CID55816737
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-25(4-2)30(28,29)19-12-8-9-17(15-19)23-21(27)16-22-20-13-14-26(24-20)18-10-6-5-7-11-18/h5-15H,3-4,16H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyRGNPVRWEUIQXJS-UHFFFAOYSA-N
XLogP2.95
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
CID 25442987
3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
CID 136543123
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N-[3-(diethylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 16551934
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
N-[3-(diethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4803994
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
N-[3-(diethylsulfamoyl)phenyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71905030
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide (CID 55816737) is N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The InChIKey is RGNPVRWEUIQXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-25(4-2)30(28,29)19-12-8-9-17(15-19)23-21(27)16-22-20-13-14-26(24-20)18-10-6-5-7-11-18/h5-15H,3-4,16H2,1-2H3,(H,22,24)(H,23,27).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide is sourced from PubChem (CID 55816737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).