N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C21H28N2O3S — CID 132658877

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H28N2O3S/c1-6-20(19-12-9-16(3)13-17(19)4)22-21(24)14-23(5)27(25,26)18-10-7-15(2)8-11-18/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyUCSXDRKYFJLPQM-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.50
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 132658877) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID132658877
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H28N2O3S/c1-6-20(19-12-9-16(3)13-17(19)4)22-21(24)14-23(5)27(25,26)18-10-7-15(2)8-11-18/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyUCSXDRKYFJLPQM-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 125063865
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
N-[1-(2,4-dimethylphenyl)propyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43894438
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28955234
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9296718
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
[2-(2,4-dimethylphenyl)-1-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]boronic acid
CID 145054053
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43896733
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30219832
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 132658877) is N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is CCC(NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UCSXDRKYFJLPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-20(19-12-9-16(3)13-17(19)4)22-21(24)14-23(5)27(25,26)18-10-7-15(2)8-11-18/h7-13,20H,6,14H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 132658877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).