2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide

C16H26N2O3S — CID 100599359

IUPAC2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-14(3)17-16(19)12-18(22(4,20)21)11-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyYEFNINHJMYGDCS-CQSZACIVSA-N
MW326.46 g/mol
LogP2.06
Rot. Bonds8

About 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 100599359) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID100599359
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-14(3)17-16(19)12-18(22(4,20)21)11-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyYEFNINHJMYGDCS-CQSZACIVSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126371750
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 125063705
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide (CID 100599359) is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is YEFNINHJMYGDCS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-14(3)17-16(19)12-18(22(4,20)21)11-15-9-7-13(2)8-10-15/h7-10,14H,5-6,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 100599359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).