1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene

C14H25N3O3S — CID 106056051

IUPAC1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C14H25N3O3S/c1-5-15-9-6-10-17(3)21(18,19)16-14-8-7-13(20-4)11-12(14)2/h7-8,11,15-16H,5-6,9-10H2,1-4H3
InChIKeyTWTPQANSJWLKDE-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.59
Rot. Bonds9

About 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene

1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene (PubChem CID 106056051) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
PubChem CID106056051
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C14H25N3O3S/c1-5-15-9-6-10-17(3)21(18,19)16-14-8-7-13(20-4)11-12(14)2/h7-8,11,15-16H,5-6,9-10H2,1-4H3
InChIKeyTWTPQANSJWLKDE-UHFFFAOYSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.59
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

3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene (CID 106056051) is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene is CCNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1C.
What is the InChIKey of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene?
The InChIKey is TWTPQANSJWLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-15-9-6-10-17(3)21(18,19)16-14-8-7-13(20-4)11-12(14)2/h7-8,11,15-16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene?
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene has a molecular weight of 315.44 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 106056051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).