N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide

C21H30N4O4S — CID 39975511

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C21H30N4O4S/c1-23(2)20-12-11-18(30(27,28)24(3)4)15-19(20)22-21(26)16-25(5)13-14-29-17-9-7-6-8-10-17/h6-12,15H,13-14,16H2,1-5H3,(H,22,26)
InChIKeyDNONBAVDDYYTET-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.95
Rot. Bonds10

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 39975511) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID39975511
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C21H30N4O4S/c1-23(2)20-12-11-18(30(27,28)24(3)4)15-19(20)22-21(26)16-25(5)13-14-29-17-9-7-6-8-10-17/h6-12,15H,13-14,16H2,1-5H3,(H,22,26)
InChIKeyDNONBAVDDYYTET-UHFFFAOYSA-N
XLogP1.95
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 119949036
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797888
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203177
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 39975511) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide is CN(CCOc1ccccc1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is DNONBAVDDYYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-23(2)20-12-11-18(30(27,28)24(3)4)15-19(20)22-21(26)16-25(5)13-14-29-17-9-7-6-8-10-17/h6-12,15H,13-14,16H2,1-5H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 434.56 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 39975511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).