N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide

C22H32N4O4S — CID 55383928

IUPACN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H32N4O4S/c1-5-24-11-13-25(14-12-24)21-9-8-18(31(28,29)26(6-2)7-3)16-20(21)23-22(27)19-10-15-30-17(19)4/h8-10,15-16H,5-7,11-14H2,1-4H3,(H,23,27)
InChIKeyPQPBSAMTBUAIFK-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.01
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 55383928) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID55383928
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H32N4O4S/c1-5-24-11-13-25(14-12-24)21-9-8-18(31(28,29)26(6-2)7-3)16-20(21)23-22(27)19-10-15-30-17(19)4/h8-10,15-16H,5-7,11-14H2,1-4H3,(H,23,27)
InChIKeyPQPBSAMTBUAIFK-UHFFFAOYSA-N
XLogP3.01
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 4851065
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 17431519
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55531791
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95298708
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide (CID 55383928) is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide is CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccoc2C)CC1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is PQPBSAMTBUAIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-5-24-11-13-25(14-12-24)21-9-8-18(31(28,29)26(6-2)7-3)16-20(21)23-22(27)19-10-15-30-17(19)4/h8-10,15-16H,5-7,11-14H2,1-4H3,(H,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).