4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide

C19H33N5O3S2 — CID 110963755

IUPAC4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H33N5O3S2/c1-5-20-19(23-14-12-22(13-15-23)16(4)25)21-11-10-17-8-9-18(28-17)29(26,27)24(6-2)7-3/h8-9H,5-7,10-15H2,1-4H3,(H,20,21)
InChIKeyRZBKAOQMLXPEEP-UHFFFAOYSA-N
MW443.64 g/mol
LogP1.45
Rot. Bonds8

About 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110963755) has the molecular formula C19H33N5O3S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110963755
Molecular FormulaC19H33N5O3S2
Molecular Weight443.64 g/mol
Exact Mass443.20
IUPAC Name4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H33N5O3S2/c1-5-20-19(23-14-12-22(13-15-23)16(4)25)21-11-10-17-8-9-18(28-17)29(26,27)24(6-2)7-3/h8-9H,5-7,10-15H2,1-4H3,(H,20,21)
InChIKeyRZBKAOQMLXPEEP-UHFFFAOYSA-N
XLogP1.45
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 51.45
H-Bond Donors ≤ 51
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'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740118
N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740117
4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962873
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
CID 110963811
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130815
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
CID 111101475
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144326
4-acetyl-N-ethyl-N'-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963164

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide (CID 110963755) is 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is RZBKAOQMLXPEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3S2/c1-5-20-19(23-14-12-22(13-15-23)16(4)25)21-11-10-17-8-9-18(28-17)29(26,27)24(6-2)7-3/h8-9H,5-7,10-15H2,1-4H3,(H,20,21).
What are the key properties of 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 443.64 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110963755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).