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

C18H25N5O4S — CID 55669437

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n(C)n1
InChIInChI=1S/C18H25N5O4S/c1-13-11-17(22(4)20-13)19-18(24)15-12-14(28(25,26)21(2)3)5-6-16(15)23-7-9-27-10-8-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,24)
InChIKeyWBPVWGGIVUKIGW-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.07
Rot. Bonds5

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

N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 55669437) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID55669437
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n(C)n1
InChIInChI=1S/C18H25N5O4S/c1-13-11-17(22(4)20-13)19-18(24)15-12-14(28(25,26)21(2)3)5-6-16(15)23-7-9-27-10-8-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,24)
InChIKeyWBPVWGGIVUKIGW-UHFFFAOYSA-N
XLogP1.07
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536639
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-morpholin-4-ylbenzamide
CID 46477468

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 55669437) is N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is WBPVWGGIVUKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-13-11-17(22(4)20-13)19-18(24)15-12-14(28(25,26)21(2)3)5-6-16(15)23-7-9-27-10-8-23/h5-6,11-12H,7-10H2,1-4H3,(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 407.50 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55669437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).