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

C16H22N4O4S — CID 135097685

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C16H22N4O4S/c1-20(2)25(22,23)10-11-8-24-9-15(11)17-16(21)7-14-12-5-3-4-6-13(12)18-19-14/h3-6,11,15H,7-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1
InChIKeyQPHYUENIYPMDRK-XHDPSFHLSA-N
MW366.44 g/mol
LogP0.13
Rot. Bonds6

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

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 135097685) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
PubChem CID135097685
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C16H22N4O4S/c1-20(2)25(22,23)10-11-8-24-9-15(11)17-16(21)7-14-12-5-3-4-6-13(12)18-19-14/h3-6,11,15H,7-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1
InChIKeyQPHYUENIYPMDRK-XHDPSFHLSA-N
XLogP0.13
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135116985
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 163318902
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide
CID 135120217
3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
CID 135119309
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 135111853
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
5-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]naphthalene-1-carboxamide
CID 135103204
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide (CID 135097685) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is QPHYUENIYPMDRK-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-20(2)25(22,23)10-11-8-24-9-15(11)17-16(21)7-14-12-5-3-4-6-13(12)18-19-14/h3-6,11,15H,7-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 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-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 135097685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).