N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide

C21H29N3O4S — CID 17406570

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C21H29N3O4S/c1-15(2)21(16-9-7-6-8-10-16)22-14-20(25)23-18-13-17(11-12-19(18)28-5)29(26,27)24(3)4/h6-13,15,21-22H,14H2,1-5H3,(H,23,25)
InChIKeyACLLXSVBXKRHDW-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.87
Rot. Bonds9

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide (PubChem CID 17406570) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
PubChem CID17406570
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C21H29N3O4S/c1-15(2)21(16-9-7-6-8-10-16)22-14-20(25)23-18-13-17(11-12-19(18)28-5)29(26,27)24(3)4/h6-13,15,21-22H,14H2,1-5H3,(H,23,25)
InChIKeyACLLXSVBXKRHDW-UHFFFAOYSA-N
XLogP2.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 41291640
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132046
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24662396
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 25387721
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide (CID 17406570) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNC(c1ccccc1)C(C)C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide?
The InChIKey is ACLLXSVBXKRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-15(2)21(16-9-7-6-8-10-16)22-14-20(25)23-18-13-17(11-12-19(18)28-5)29(26,27)24(3)4/h6-13,15,21-22H,14H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide has a molecular weight of 419.55 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide is sourced from PubChem (CID 17406570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).