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

C16H24N2O5S — CID 135116358

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-12-5-4-6-14(7-12)23-10-16(19)17-15-9-22-8-13(15)11-24(20,21)18(2)3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyPADWXRDQYBTMSW-ZFWWWQNUSA-N
MW356.44 g/mol
LogP0.40
Rot. Bonds7

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

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 135116358) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
PubChem CID135116358
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-12-5-4-6-14(7-12)23-10-16(19)17-15-9-22-8-13(15)11-24(20,21)18(2)3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyPADWXRDQYBTMSW-ZFWWWQNUSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide (CID 135116358) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is PADWXRDQYBTMSW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12-5-4-6-14(7-12)23-10-16(19)17-15-9-22-8-13(15)11-24(20,21)18(2)3/h4-7,13,15H,8-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 356.44 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 135116358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).