2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide

C23H33N5O4S — CID 20725379

IUPAC2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NCCCN(C)C)cc2)cc1
InChIInChI=1S/C23H33N5O4S/c1-4-5-7-18-8-14-21(15-9-18)33(31,32)27-20-12-10-19(11-13-20)25-26-23(30)22(29)24-16-6-17-28(2)3/h8-15,25,27H,4-7,16-17H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyHUDUVBXXVHVGBJ-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.34
Rot. Bonds12

About 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide

2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide (PubChem CID 20725379) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide
PubChem CID20725379
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC Name2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NCCCN(C)C)cc2)cc1
InChIInChI=1S/C23H33N5O4S/c1-4-5-7-18-8-14-21(15-9-18)33(31,32)27-20-12-10-19(11-13-20)25-26-23(30)22(29)24-16-6-17-28(2)3/h8-15,25,27H,4-7,16-17H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyHUDUVBXXVHVGBJ-UHFFFAOYSA-N
XLogP2.34
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide?
The IUPAC name of 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide (CID 20725379) is 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide is CCCCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NCCCN(C)C)cc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide?
The InChIKey is HUDUVBXXVHVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-4-5-7-18-8-14-21(15-9-18)33(31,32)27-20-12-10-19(11-13-20)25-26-23(30)22(29)24-16-6-17-28(2)3/h8-15,25,27H,4-7,16-17H2,1-3H3,(H,24,29)(H,26,30).
What are the key properties of 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide?
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide has a molecular weight of 475.62 g/mol, XLogP of 2.34, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide is sourced from PubChem (CID 20725379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).