3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide

C17H24N4O4S — CID 135119309

IUPAC3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H24N4O4S/c1-20(2)26(23,24)11-13-9-25-10-15(13)19-17(22)7-8-21-12-18-14-5-3-4-6-16(14)21/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t13-,15+/m0/s1
InChIKeyDAQOEQMWGKDSEX-DZGCQCFKSA-N
MW380.47 g/mol
LogP0.45
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide

3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide (PubChem CID 135119309) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
PubChem CID135119309
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H24N4O4S/c1-20(2)26(23,24)11-13-9-25-10-15(13)19-17(22)7-8-21-12-18-14-5-3-4-6-16(14)21/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t13-,15+/m0/s1
InChIKeyDAQOEQMWGKDSEX-DZGCQCFKSA-N
XLogP0.45
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.45
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
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
CID 135117226
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 135097685
3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114631328
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135119880
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135116985
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-2-phenylpropanamide
CID 135106779
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide
CID 135112135
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]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide (CID 135119309) is 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide?
The InChIKey is DAQOEQMWGKDSEX-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-20(2)26(23,24)11-13-9-25-10-15(13)19-17(22)7-8-21-12-18-14-5-3-4-6-16(14)21/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t13-,15+/m0/s1.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide?
3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 135119309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).