N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C16H27N3O3S — CID 53281939

IUPACN-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCCC(C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-7-14(4)17-16(20)11-19(23(21,22)18(5)6)15-10-12(2)8-9-13(15)3/h8-10,14H,7,11H2,1-6H3,(H,17,20)
InChIKeyJHNSSDNNMPGJIE-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.83
Rot. Bonds7

About N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 53281939) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID53281939
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCCC(C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-7-14(4)17-16(20)11-19(23(21,22)18(5)6)15-10-12(2)8-9-13(15)3/h8-10,14H,7,11H2,1-6H3,(H,17,20)
InChIKeyJHNSSDNNMPGJIE-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 92663718
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390844
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390850
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051
N-butan-2-yl-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132730050
(2S)-2-[benzyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 125077047
(2R)-N-[(2S)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100537789
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186558

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 53281939) is N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is CCC(C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C.
What is the InChIKey of N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is JHNSSDNNMPGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-7-14(4)17-16(20)11-19(23(21,22)18(5)6)15-10-12(2)8-9-13(15)3/h8-10,14H,7,11H2,1-6H3,(H,17,20).
What are the key properties of N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 53281939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).