N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide

C17H27NO3S — CID 51725375

IUPACN-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(CS(=O)(=O)CC(=O)N[C@H](C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-13(2)5-8-15(4)18-17(19)12-22(20,21)11-16-9-6-14(3)7-10-16/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyCGJXCKNUTZNSIF-OAHLLOKOSA-N
MW325.47 g/mol
LogP2.85
Rot. Bonds8

About N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide

N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide (PubChem CID 51725375) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide
PubChem CID51725375
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(CS(=O)(=O)CC(=O)N[C@H](C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO3S/c1-13(2)5-8-15(4)18-17(19)12-22(20,21)11-16-9-6-14(3)7-10-16/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyCGJXCKNUTZNSIF-OAHLLOKOSA-N
XLogP2.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminophenyl)methylsulfonyl]-N-butan-2-ylacetamide
CID 82177625
2-[(4-methylphenyl)methylsulfonyl]ethanethioamide
CID 82182371
propan-2-yl 4-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731169
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
N-butan-2-yl-2-[(3-cyanophenyl)methylsulfonyl]acetamide
CID 82177626
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926204
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
tert-butyl N-[(2S)-1-[methyl-[(4-methylphenyl)methylsulfonyl]amino]propan-2-yl]carbamate
CID 110315342
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
CID 17225150

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide (CID 51725375) is N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide is Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](C)CCC(C)C)cc1.
What is the InChIKey of N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is CGJXCKNUTZNSIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13(2)5-8-15(4)18-17(19)12-22(20,21)11-16-9-6-14(3)7-10-16/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide?
N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 325.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methylhexan-2-yl]-2-[(4-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 51725375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).