N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide

C16H24N2O5S — CID 135118851

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-18(2)24(20,21)11-13-9-23-10-15(13)17-16(19)8-12-5-4-6-14(7-12)22-3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyMSRXFPNDUBQQCG-DZGCQCFKSA-N
MW356.44 g/mol
LogP0.26
Rot. Bonds7

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

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 135118851) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID135118851
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-18(2)24(20,21)11-13-9-23-10-15(13)17-16(19)8-12-5-4-6-14(7-12)22-3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyMSRXFPNDUBQQCG-DZGCQCFKSA-N
XLogP0.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
CID 135116358
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 135097685
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide (CID 135118851) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is MSRXFPNDUBQQCG-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-18(2)24(20,21)11-13-9-23-10-15(13)17-16(19)8-12-5-4-6-14(7-12)22-3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 356.44 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 135118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).