4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide

C18H28N2O4S — CID 135108216

IUPAC4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-5-6-14-7-9-15(10-8-14)18(21)19-17-12-24-11-16(17)13-25(22,23)20(2)3/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyGWRYRFBPFFOTRC-IRXDYDNUSA-N
MW368.50 g/mol
LogP1.67
Rot. Bonds8

About 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide

4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide (PubChem CID 135108216) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
PubChem CID135108216
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-5-6-14-7-9-15(10-8-14)18(21)19-17-12-24-11-16(17)13-25(22,23)20(2)3/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyGWRYRFBPFFOTRC-IRXDYDNUSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115806
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115737
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 135107605
6-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 135117318
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide (CID 135108216) is 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide is CCCCc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
The InChIKey is GWRYRFBPFFOTRC-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-5-6-14-7-9-15(10-8-14)18(21)19-17-12-24-11-16(17)13-25(22,23)20(2)3/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide?
4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide has a molecular weight of 368.50 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 135108216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).