2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide

C17H28N2O4S — CID 100750759

IUPAC2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(CN(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-14(2)23-11-5-10-18-17(20)13-19(24(4,21)22)12-16-8-6-15(3)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,18,20)
InChIKeyYVPASIKQHLMKMK-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.69
Rot. Bonds10

About 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 100750759) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID100750759
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(CN(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-14(2)23-11-5-10-18-17(20)13-19(24(4,21)22)12-16-8-6-15(3)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,18,20)
InChIKeyYVPASIKQHLMKMK-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126371916
N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100560422
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133148634
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100554880
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126390921
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 125046360
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide (CID 100750759) is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide is Cc1ccc(CN(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is YVPASIKQHLMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14(2)23-11-5-10-18-17(20)13-19(24(4,21)22)12-16-8-6-15(3)7-9-16/h6-9,14H,5,10-13H2,1-4H3,(H,18,20).
What are the key properties of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 100750759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).