N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide

C19H25N3O3S — CID 112980242

IUPACN-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-5-14-20-16-8-10-17(11-9-16)21-19(23)15-6-12-18(13-7-15)26(24,25)22(2)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXDTZZCGSQLNFSS-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.40
Rot. Bonds8

About N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide

N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 112980242) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID112980242
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-5-14-20-16-8-10-17(11-9-16)21-19(23)15-6-12-18(13-7-15)26(24,25)22(2)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXDTZZCGSQLNFSS-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide (CID 112980242) is N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide is CCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is XDTZZCGSQLNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-5-14-20-16-8-10-17(11-9-16)21-19(23)15-6-12-18(13-7-15)26(24,25)22(2)3/h6-13,20H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide?
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 112980242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).