N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide

C19H19N3O4S — CID 46524259

IUPACN-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC)c2)c1
InChIInChI=1S/C19H19N3O4S/c1-3-11-21-27(25,26)17-10-6-8-15(13-17)19(24)22-16-9-5-7-14(12-16)18(23)20-4-2/h1,5-10,12-13,21H,4,11H2,2H3,(H,20,23)(H,22,24)
InChIKeyLULLDLOQHXPKRY-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.60
Rot. Bonds7

About N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide

N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 46524259) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
PubChem CID46524259
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC)c2)c1
InChIInChI=1S/C19H19N3O4S/c1-3-11-21-27(25,26)17-10-6-8-15(13-17)19(24)22-16-9-5-7-14(12-16)18(23)20-4-2/h1,5-10,12-13,21H,4,11H2,2H3,(H,20,23)(H,22,24)
InChIKeyLULLDLOQHXPKRY-UHFFFAOYSA-N
XLogP1.60
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide (CID 46524259) is N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC)c2)c1.
What is the InChIKey of N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is LULLDLOQHXPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-11-21-27(25,26)17-10-6-8-15(13-17)19(24)22-16-9-5-7-14(12-16)18(23)20-4-2/h1,5-10,12-13,21H,4,11H2,2H3,(H,20,23)(H,22,24).
What are the key properties of N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide?
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 385.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 46524259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).