N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

C20H31NO4S — CID 166181611

IUPACN-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COC2CC(C)CCC2C(C)C)cc1C
InChIInChI=1S/C20H31NO4S/c1-13(2)18-9-6-14(3)10-19(18)25-12-20(22)21-26(23,24)17-8-7-15(4)16(5)11-17/h7-8,11,13-14,18-19H,6,9-10,12H2,1-5H3,(H,21,22)
InChIKeyDMJIORUGAWANCU-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.59
Rot. Bonds6

About N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (PubChem CID 166181611) has the molecular formula C20H31NO4S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
PubChem CID166181611
Molecular FormulaC20H31NO4S
Molecular Weight381.54 g/mol
Exact Mass381.20
IUPAC NameN-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COC2CC(C)CCC2C(C)C)cc1C
InChIInChI=1S/C20H31NO4S/c1-13(2)18-9-6-14(3)10-19(18)25-12-20(22)21-26(23,24)17-8-7-15(4)16(5)11-17/h7-8,11,13-14,18-19H,6,9-10,12H2,1-5H3,(H,21,22)
InChIKeyDMJIORUGAWANCU-UHFFFAOYSA-N
XLogP3.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
CID 167875838
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 47029916
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252
1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 43798255
N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (CID 166181611) is N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is Cc1ccc(S(=O)(=O)NC(=O)COC2CC(C)CCC2C(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The InChIKey is DMJIORUGAWANCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S/c1-13(2)18-9-6-14(3)10-19(18)25-12-20(22)21-26(23,24)17-8-7-15(4)16(5)11-17/h7-8,11,13-14,18-19H,6,9-10,12H2,1-5H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide has a molecular weight of 381.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is sourced from PubChem (CID 166181611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).