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

C21H27N3O4S — CID 8743757

IUPACN-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-15-5-6-17(13-16(15)2)22-21(25)19-14-18(29(26,27)23(3)4)7-8-20(19)24-9-11-28-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyRPYQVTACMWKRDM-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.64
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 8743757) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID8743757
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-15-5-6-17(13-16(15)2)22-21(25)19-14-18(29(26,27)23(3)4)7-8-20(19)24-9-11-28-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyRPYQVTACMWKRDM-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
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)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536639
N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55481130
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 8743757) is N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is RPYQVTACMWKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-5-6-17(13-16(15)2)22-21(25)19-14-18(29(26,27)23(3)4)7-8-20(19)24-9-11-28-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 8743757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).