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

C15H20F2N2O4S — CID 135107957

IUPAC2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O4S/c1-19(2)24(21,22)9-11-7-23-8-14(11)18-15(20)5-10-3-4-12(16)6-13(10)17/h3-4,6,11,14H,5,7-9H2,1-2H3,(H,18,20)/t11-,14+/m0/s1
InChIKeySFTQPLZHJGDCIG-SMDDNHRTSA-N
MW362.40 g/mol
LogP0.53
Rot. Bonds6

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

2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (PubChem CID 135107957) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
PubChem CID135107957
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC Name2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O4S/c1-19(2)24(21,22)9-11-7-23-8-14(11)18-15(20)5-10-3-4-12(16)6-13(10)17/h3-4,6,11,14H,5,7-9H2,1-2H3,(H,18,20)/t11-,14+/m0/s1
InChIKeySFTQPLZHJGDCIG-SMDDNHRTSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide (CID 135107957) is 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
The InChIKey is SFTQPLZHJGDCIG-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-19(2)24(21,22)9-11-7-23-8-14(11)18-15(20)5-10-3-4-12(16)6-13(10)17/h3-4,6,11,14H,5,7-9H2,1-2H3,(H,18,20)/t11-,14+/m0/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide?
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135107957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).