2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

C17H26N2O4S — CID 135094048

IUPAC2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H26N2O4S/c1-12-5-6-13(2)14(7-12)8-17(20)18-16-10-23-9-15(16)11-24(21,22)19(3)4/h5-7,15-16H,8-11H2,1-4H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyNDJXGQPEIHIQNV-HOTGVXAUSA-N
MW354.47 g/mol
LogP0.87
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (PubChem CID 135094048) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
PubChem CID135094048
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H26N2O4S/c1-12-5-6-13(2)14(7-12)8-17(20)18-16-10-23-9-15(16)11-24(21,22)19(3)4/h5-7,15-16H,8-11H2,1-4H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyNDJXGQPEIHIQNV-HOTGVXAUSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
CID 135116358
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 163318902

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (CID 135094048) is 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is Cc1ccc(C)c(CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The InChIKey is NDJXGQPEIHIQNV-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12-5-6-13(2)14(7-12)8-17(20)18-16-10-23-9-15(16)11-24(21,22)19(3)4/h5-7,15-16H,8-11H2,1-4H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135094048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).