5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide

C15H24ClN3O3S — CID 91652973

IUPAC5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C15H24ClN3O3S/c1-4-17-14-8-7-12(16)11-13(14)15(20)18-9-6-10-19(3)23(21,22)5-2/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyVXEYUWRBTJQFFS-UHFFFAOYSA-N
MW361.90 g/mol
LogP2.17
Rot. Bonds9

About 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide

5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide (PubChem CID 91652973) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
PubChem CID91652973
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C15H24ClN3O3S/c1-4-17-14-8-7-12(16)11-13(14)15(20)18-9-6-10-19(3)23(21,22)5-2/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyVXEYUWRBTJQFFS-UHFFFAOYSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.17
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

5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
CID 103529977
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
4-chloro-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-methylsulfonylbenzamide
CID 55963196
5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64523585
1-(4-chlorophenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55693629
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide (CID 91652973) is 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide is CCNc1ccc(Cl)cc1C(=O)NCCCN(C)S(=O)(=O)CC.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
The InChIKey is VXEYUWRBTJQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S/c1-4-17-14-8-7-12(16)11-13(14)15(20)18-9-6-10-19(3)23(21,22)5-2/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide?
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide has a molecular weight of 361.90 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 91652973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).