2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

C16H26N2O4S — CID 126371916

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-14(2)22-11-7-10-17-16(19)13-18(23(3,20)21)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyOYUUWAIQKRCNRS-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.38
Rot. Bonds10

About 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126371916) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126371916
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-14(2)22-11-7-10-17-16(19)13-18(23(3,20)21)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyOYUUWAIQKRCNRS-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.38
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-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133148634
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 125046360
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 3655760
2-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100751066
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126390921
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126393830
2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 21372641

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 126371916) is 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is OYUUWAIQKRCNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-14(2)22-11-7-10-17-16(19)13-18(23(3,20)21)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126371916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).