N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide

C20H25N3O3S — CID 55721364

IUPACN-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-14-22-27(25,26)19-12-10-17(11-13-19)20(24)21-15-16(2)23(3)18-8-6-5-7-9-18/h4-13,16,22H,1,14-15H2,2-3H3,(H,21,24)
InChIKeyHBXKFDWZXBTYIM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.41
Rot. Bonds9

About N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55721364) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID55721364
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-14-22-27(25,26)19-12-10-17(11-13-19)20(24)21-15-16(2)23(3)18-8-6-5-7-9-18/h4-13,16,22H,1,14-15H2,2-3H3,(H,21,24)
InChIKeyHBXKFDWZXBTYIM-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 24547891
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 55721161
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 55721364) is N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)N(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is HBXKFDWZXBTYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-14-22-27(25,26)19-12-10-17(11-13-19)20(24)21-15-16(2)23(3)18-8-6-5-7-9-18/h4-13,16,22H,1,14-15H2,2-3H3,(H,21,24).
What are the key properties of N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55721364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).