N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

C22H29N3O4S — CID 55582883

IUPACN-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H29N3O4S/c1-16-5-6-18(17(2)13-16)15-23-22(26)20-14-19(30(27,28)24(3)4)7-8-21(20)25-9-11-29-12-10-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyKXUWRGAQBVTNNH-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.32
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 55582883) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID55582883
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H29N3O4S/c1-16-5-6-18(17(2)13-16)15-23-22(26)20-14-19(30(27,28)24(3)4)7-8-21(20)25-9-11-29-12-10-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyKXUWRGAQBVTNNH-UHFFFAOYSA-N
XLogP2.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
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
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 42908422
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 55582883) is N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is KXUWRGAQBVTNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16-5-6-18(17(2)13-16)15-23-22(26)20-14-19(30(27,28)24(3)4)7-8-21(20)25-9-11-29-12-10-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55582883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).