3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide

C13H21N3O3S — CID 107328689

IUPAC3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC(N)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-4-15-11-7-9(2)13(10(3)8-11)20(18,19)16-6-5-12(14)17/h7-8,15-16H,4-6H2,1-3H3,(H2,14,17)
InChIKeyBAGUEWQPCNVLON-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.89
Rot. Bonds7

About 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide

3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide (PubChem CID 107328689) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
PubChem CID107328689
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC(N)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-4-15-11-7-9(2)13(10(3)8-11)20(18,19)16-6-5-12(14)17/h7-8,15-16H,4-6H2,1-3H3,(H2,14,17)
InChIKeyBAGUEWQPCNVLON-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454
3-(3,4-dimethylanilino)propanamide
CID 43131963
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide (CID 107328689) is 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide is CCNc1cc(C)c(S(=O)(=O)NCCC(N)=O)c(C)c1.
What is the InChIKey of 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide?
The InChIKey is BAGUEWQPCNVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-15-11-7-9(2)13(10(3)8-11)20(18,19)16-6-5-12(14)17/h7-8,15-16H,4-6H2,1-3H3,(H2,14,17).
What are the key properties of 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide?
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide is sourced from PubChem (CID 107328689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).