N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide

C19H25N3O3S — CID 109059086

IUPACN-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-5-14(2)20-19(23)15-6-12-18(13-7-15)26(24,25)21-16-8-10-17(11-9-16)22(3)4/h6-14,21H,5H2,1-4H3,(H,20,23)
InChIKeyVDMLOBKTOOYRHT-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.08
Rot. Bonds7

About N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide

N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide (PubChem CID 109059086) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
PubChem CID109059086
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-5-14(2)20-19(23)15-6-12-18(13-7-15)26(24,25)21-16-8-10-17(11-9-16)22(3)4/h6-14,21H,5H2,1-4H3,(H,20,23)
InChIKeyVDMLOBKTOOYRHT-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109059097
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide (CID 109059086) is N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide?
The InChIKey is VDMLOBKTOOYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-5-14(2)20-19(23)15-6-12-18(13-7-15)26(24,25)21-16-8-10-17(11-9-16)22(3)4/h6-14,21H,5H2,1-4H3,(H,20,23).
What are the key properties of N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide?
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 109059086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).