N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide

C21H30N4O3S — CID 50807890

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NCCN(C)Cc2ccccc2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O3S/c1-18-10-12-20(13-11-18)25(29(27,28)23(2)3)17-21(26)22-14-15-24(4)16-19-8-6-5-7-9-19/h5-13H,14-17H2,1-4H3,(H,22,26)
InChIKeyHIRPACQDJCMUJV-UHFFFAOYSA-N
MW418.56 g/mol
LogP1.86
Rot. Bonds10

About N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide

N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide (PubChem CID 50807890) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
PubChem CID50807890
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NCCN(C)Cc2ccccc2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O3S/c1-18-10-12-20(13-11-18)25(29(27,28)23(2)3)17-21(26)22-14-15-24(4)16-19-8-6-5-7-9-19/h5-13H,14-17H2,1-4H3,(H,22,26)
InChIKeyHIRPACQDJCMUJV-UHFFFAOYSA-N
XLogP1.86
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
(2R)-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561109
(2R)-N-butyl-2-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100603952
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 46364496
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
(2S)-N-butyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100603330
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132622466
(2S)-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100666972
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132678163
2-[benzyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-propylbutanamide
CID 132943886

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide (CID 50807890) is N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide is Cc1ccc(N(CC(=O)NCCN(C)Cc2ccccc2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The InChIKey is HIRPACQDJCMUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-18-10-12-20(13-11-18)25(29(27,28)23(2)3)17-21(26)22-14-15-24(4)16-19-8-6-5-7-9-19/h5-13H,14-17H2,1-4H3,(H,22,26).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide?
N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide has a molecular weight of 418.56 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide is sourced from PubChem (CID 50807890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).