N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide

C19H26N4O3S2 — CID 109427599

IUPACN-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H26N4O3S2/c1-2-21-19(22-14-17-8-9-18(27-17)28(20,24)25)23-12-10-16(11-13-23)26-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyCULXPOXBCVZCRK-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide

N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 109427599) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID109427599
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H26N4O3S2/c1-2-21-19(22-14-17-8-9-18(27-17)28(20,24)25)23-12-10-16(11-13-23)26-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyCULXPOXBCVZCRK-UHFFFAOYSA-N
XLogP2.40
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-ethyl-N'-[(5-sulfamoylthiophen-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144866
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N-ethyl-N'-[(5-sulfamoylthiophen-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144865
N'-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958350
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-2-(2-methylphenyl)-N'-[(5-sulfamoylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481186
methyl 4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzoate;hydroiodide
CID 109425761
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426107
N-ethyl-N'-[3-(methanesulfonamido)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428216
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide (CID 109427599) is N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide is CCN/C(=N\Cc1ccc(S(N)(=O)=O)s1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is CULXPOXBCVZCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-2-21-19(22-14-17-8-9-18(27-17)28(20,24)25)23-12-10-16(11-13-23)26-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide?
N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 422.58 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109427599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).