5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide

C14H23N3O3S — CID 61289684

IUPAC5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
SMILESCCN(CCCNC(=O)c1cc(N)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)9-5-8-16-14(18)13-10-12(15)7-6-11(13)2/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyCQKSZEDVFBKDFS-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.98
Rot. Bonds7

About 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide

5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide (PubChem CID 61289684) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
PubChem CID61289684
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
SMILESCCN(CCCNC(=O)c1cc(N)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)9-5-8-16-14(18)13-10-12(15)7-6-11(13)2/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyCQKSZEDVFBKDFS-UHFFFAOYSA-N
XLogP0.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
5-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-nitrobenzamide
CID 60526996
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552297
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide (CID 61289684) is 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide is CCN(CCCNC(=O)c1cc(N)ccc1C)S(C)(=O)=O.
What is the InChIKey of 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The InChIKey is CQKSZEDVFBKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)9-5-8-16-14(18)13-10-12(15)7-6-11(13)2/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide is sourced from PubChem (CID 61289684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).