N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C24H38N6O3S — CID 55531791

IUPACN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCn2nc(C)cc2C)CC1
InChIInChI=1S/C24H38N6O3S/c1-6-27-13-15-28(16-14-27)23-10-9-21(34(32,33)29(7-2)8-3)18-22(23)25-24(31)11-12-30-20(5)17-19(4)26-30/h9-10,17-18H,6-8,11-16H2,1-5H3,(H,25,31)
InChIKeyBROTUDKBQOLBHT-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.70
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 55531791) has the molecular formula C24H38N6O3S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID55531791
Molecular FormulaC24H38N6O3S
Molecular Weight490.67 g/mol
Exact Mass490.27
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCn2nc(C)cc2C)CC1
InChIInChI=1S/C24H38N6O3S/c1-6-27-13-15-28(16-14-27)23-10-9-21(34(32,33)29(7-2)8-3)18-22(23)25-24(31)11-12-30-20(5)17-19(4)26-30/h9-10,17-18H,6-8,11-16H2,1-5H3,(H,25,31)
InChIKeyBROTUDKBQOLBHT-UHFFFAOYSA-N
XLogP2.70
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 17431519
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 4851065
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 55383928
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43054838
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
(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]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 55531791) is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCn2nc(C)cc2C)CC1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is BROTUDKBQOLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O3S/c1-6-27-13-15-28(16-14-27)23-10-9-21(34(32,33)29(7-2)8-3)18-22(23)25-24(31)11-12-30-20(5)17-19(4)26-30/h9-10,17-18H,6-8,11-16H2,1-5H3,(H,25,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 490.67 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 55531791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).