1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine

C17H30N4O3S — CID 111781443

IUPAC1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H30N4O3S/c1-6-18-16(20-13-17(2,3)21-25(5,22)23)19-12-11-14-7-9-15(24-4)10-8-14/h7-10,21H,6,11-13H2,1-5H3,(H2,18,19,20)
InChIKeyWPUWNIQPEOADNR-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.12
Rot. Bonds9

About 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine

1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine (PubChem CID 111781443) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
PubChem CID111781443
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)NS(C)(=O)=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H30N4O3S/c1-6-18-16(20-13-17(2,3)21-25(5,22)23)19-12-11-14-7-9-15(24-4)10-8-14/h7-10,21H,6,11-13H2,1-5H3,(H2,18,19,20)
InChIKeyWPUWNIQPEOADNR-UHFFFAOYSA-N
XLogP1.12
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966965
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111635182
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine
CID 111783210
1-ethyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111781834
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine;hydroiodide
CID 111785840
1-ethyl-2-(2-ethylsulfonylethyl)-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169691
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111782044
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111664383
2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110953528
methyl 3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanoate;hydroiodide
CID 111169755
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111786275
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111169250

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine (CID 111781443) is 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine is CCN/C(=N\CC(C)(C)NS(C)(=O)=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The InChIKey is WPUWNIQPEOADNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-6-18-16(20-13-17(2,3)21-25(5,22)23)19-12-11-14-7-9-15(24-4)10-8-14/h7-10,21H,6,11-13H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine?
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine has a molecular weight of 370.52 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111781443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).