N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide

C16H22N4O4S — CID 135117226

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-9-24-10-14(13)18-16(21)8-20-15-6-4-3-5-12(15)7-17-20/h3-7,13-14H,8-11H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyURXMPKIAVCFZQZ-UONOGXRCSA-N
MW366.44 g/mol
LogP0.06
Rot. Bonds6

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide (PubChem CID 135117226) 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-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
PubChem CID135117226
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-9-24-10-14(13)18-16(21)8-20-15-6-4-3-5-12(15)7-17-20/h3-7,13-14H,8-11H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyURXMPKIAVCFZQZ-UONOGXRCSA-N
XLogP0.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 135111853
3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
CID 135119309
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
CID 135106779
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
CID 135094246
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
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 163318902
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 135097685
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 135088303
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide (CID 135117226) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide?
The InChIKey is URXMPKIAVCFZQZ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-9-24-10-14(13)18-16(21)8-20-15-6-4-3-5-12(15)7-17-20/h3-7,13-14H,8-11H2,1-2H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide has a molecular weight of 366.44 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide is sourced from PubChem (CID 135117226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).