N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide

C22H29N3O5S — CID 17311686

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)14-24(15-17(3)4)31(29,30)21-11-7-19(8-12-21)23-22(26)13-18-5-9-20(10-6-18)25(27)28/h5-12,16-17H,13-15H2,1-4H3,(H,23,26)
InChIKeyYKZUMHINPHBVEG-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.08
Rot. Bonds10

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 17311686) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID17311686
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)14-24(15-17(3)4)31(29,30)21-11-7-19(8-12-21)23-22(26)13-18-5-9-20(10-6-18)25(27)28/h5-12,16-17H,13-15H2,1-4H3,(H,23,26)
InChIKeyYKZUMHINPHBVEG-UHFFFAOYSA-N
XLogP4.08
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
CID 17312270
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide (CID 17311686) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is YKZUMHINPHBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(2)14-24(15-17(3)4)31(29,30)21-11-7-19(8-12-21)23-22(26)13-18-5-9-20(10-6-18)25(27)28/h5-12,16-17H,13-15H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 447.56 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 17311686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).