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

C14H23N3O3S — CID 61139442

IUPAC3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
SMILESCCN(CCCNC(=O)c1cccc(N)c1C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)10-6-9-16-14(18)12-7-5-8-13(15)11(12)2/h5,7-8H,4,6,9-10,15H2,1-3H3,(H,16,18)
InChIKeyWGXPAAXPSBVIAP-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.98
Rot. Bonds7

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

3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide (PubChem CID 61139442) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
PubChem CID61139442
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
SMILESCCN(CCCNC(=O)c1cccc(N)c1C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)10-6-9-16-14(18)12-7-5-8-13(15)11(12)2/h5,7-8H,4,6,9-10,15H2,1-3H3,(H,16,18)
InChIKeyWGXPAAXPSBVIAP-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

5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552297
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzamide
CID 106308543
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide (CID 61139442) is 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide is CCN(CCCNC(=O)c1cccc(N)c1C)S(C)(=O)=O.
What is the InChIKey of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
The InChIKey is WGXPAAXPSBVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(21(3,19)20)10-6-9-16-14(18)12-7-5-8-13(15)11(12)2/h5,7-8H,4,6,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide?
3-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 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide is sourced from PubChem (CID 61139442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).