5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide

C20H29N5O4S — CID 55669464

IUPAC5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C20H29N5O4S/c1-5-25(6-2)30(27,28)16-7-8-18(24-9-11-29-12-10-24)17(14-16)20(26)21-19-13-15(3)22-23(19)4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,26)
InChIKeyLCZZDQHEDKVVBC-UHFFFAOYSA-N
MW435.55 g/mol
LogP1.85
Rot. Bonds7

About 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide

5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide (PubChem CID 55669464) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
PubChem CID55669464
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC Name5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C20H29N5O4S/c1-5-25(6-2)30(27,28)16-7-8-18(24-9-11-29-12-10-24)17(14-16)20(26)21-19-13-15(3)22-23(19)4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,26)
InChIKeyLCZZDQHEDKVVBC-UHFFFAOYSA-N
XLogP1.85
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55481130
5-(diethylsulfamoyl)-N-[1-(4-methoxyphenyl)propyl]-2-morpholin-4-ylbenzamide
CID 55371511
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
5-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 112764899
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide (CID 55669464) is 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C)nn2C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide?
The InChIKey is LCZZDQHEDKVVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S/c1-5-25(6-2)30(27,28)16-7-8-18(24-9-11-29-12-10-24)17(14-16)20(26)21-19-13-15(3)22-23(19)4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,26).
What are the key properties of 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide?
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide has a molecular weight of 435.55 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55669464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).